Pyridine → N-(3-{4-[2-(ethylamino)pyrimidin-4-yl]-1-(4-methoxybenzyl)-1H-pyrazol-3-yl}phenyl)-2,5-difluorobenzenesulfonamide
반응식
[F:31][c:32]1[c:33]([S:39](=[O:40])(=[O:41])[Cl:42])[cH:34][c:35]([F:38])[cH:36][cH:37]1.[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]([CH2:22][c:23]3[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[cH:11][c:12]2-[c:13]2[n:14][c:15]([NH:19][CH2:20][CH3:21])[n:16][cH:17][cH:18]2)[cH:5][cH:6][cH:7]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]([CH2:22][c:23]3[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[cH:11][c:12]2-[c:13]2[n:14][c:15]([NH:19][CH2:20][CH3:21])[n:16][cH:17][cH:18]2)[cH:5][cH:6][cH:7]1)[S:39]([c:33]1[c:32]([F:31])[cH:37][cH:36][c:35]([F:38])[cH:34]1)(=[O:40])=[O:41]참가 물질
4
출처 및 근거
- ORD 기록
- ord-ba5faa486b034895be1eecc73a2d30ba
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
- DOI