Dichloromethane → 3'-[4-Methyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-biphenyl-3-sulfonic acid amide
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17](-[c:21]3[n:22][c:23](-[c:28]4[cH:29][n:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]4)[cH:24][c:25]([CH3:27])[n:26]3)[cH:18][cH:19][cH:20]2)[cH:12][cH:13][cH:14]1.[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17](-[c:21]3[n:22][c:23](-[c:28]4[cH:29][n:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]4)[cH:24][c:25]([CH3:27])[n:26]3)[cH:18][cH:19][cH:20]2)[cH:12][cH:13][cH:14]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-3054f6d427264e7dafc300a1f9494d92
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
- DOI