Ethanol → 4'-[(5-Iodopyrimidin-4-yl)amino]-6-methyl-N-[3-(trifluoromethyl)phenyl]biphenyl-3-carboxamide
반응식
[C:39](=[O:40])([O-:41])[O-:42].[CH3:36][CH2:37][OH:38].[Cl:28][c:29]1[n:30][cH:31][n:32][cH:33][c:34]1[I:35].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:15](=[O:16])[NH:17][c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[cH:11][cH:12][c:13]2[CH3:14])[cH:6][cH:7]1.[Na+:43].[Na+:44]>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:15](=[O:16])[NH:17][c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[cH:11][cH:12][c:13]2[CH3:14])[cH:6][cH:7]1)[c:29]1[n:30][cH:31][n:32][cH:33][c:34]1[I:35]참가 물질
6
출처 및 근거
- ORD 기록
- ord-50384b86f39d46459cee9b15ad9a3de3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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