smiles
stringlengths 185
283
| yield
float64 0
100
| canonical_smiles
stringclasses 15
values | others_smiles
stringclasses 264
values | mapped_smiles
stringclasses 15
values |
|---|---|---|---|---|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 43.318146 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 0 | COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 29.298178 | COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 37.565356 | COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 0.96081 | CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 59.019681 | CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 70.96873 | CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 35.139527 | Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 37.654458 | Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 51.10249 | Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 3.96345 | Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 31.93031 | Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 48.708232 | Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 5.008761 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 35.088724 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 41.245607 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 0 | COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 13.976947 | COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 18.895249 | COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 0.705195 | CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 32.632341 | CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 31.818372 | CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 30.425439 | Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 53.63578 | Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 59.476744 | Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 2.014672 | Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 26.513526 | Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 36.850379 | Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 4.820162 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 34.806286 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 46.632498 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 0 | COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 11.742185 | COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 26.651894 | COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 0.54683 | CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 35.870556 | CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 68.844495 | CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 33.875422 | Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 63.069719 | Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 70.629892 | Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 2.481416 | Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 31.678005 | Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 46.0142 | Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 22.166448 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 23.211569 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 34.748764 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 0.948129 | COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 16.649665 | COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 19.999826 | COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 4.992379 | CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 53.996993 | CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 57.37549 | CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 22.611658 | Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 28.751496 | Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 26.988906 | Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 20.857825 | Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 20.734757 | Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 30.871129 | Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)on1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 20.36096 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 38.916904 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 41.70005 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 0.940122 | COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 14.904507 | COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 19.596159 | COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 4.17976 | CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 39.008159 | CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 37.169624 | CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 31.617255 | Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 51.216543 | Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 57.551289 | Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 16.173827 | Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 26.587513 | Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 40.413276 | Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 16.965316 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 34.377255 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 43.583511 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 0.828207 | COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 13.336321 | COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 26.963544 | COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 4.206952 | CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 39.804358 | CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 66.763595 | CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 38.143027 | Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 56.516674 | Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 67.971728 | Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 13.292716 | Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 32.516603 | Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1 | 47.33481 | Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)on1.CN1CCCN2CCCN=C12.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1 |
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 5.98098 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 50.582897 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | 45.08048 | Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 0 | COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 42.119461 | COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1 | 49.111432 | COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 0.705225 | CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 70.862191 | CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1 | 66.449518 | CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1 |
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 65.939881 | Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 66.070821 | Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cc(C)no1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1 | 66.207936 | Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1 | CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cc(C)no1.CS(C)=O | [CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1 |
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