1,3-Benzenedisulfonamide → N-{[(2-{4-[5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}ethyl)amino]carbonyl}-1,3-benzenedisulfonamide
반응식
[CH3:1][c:2]1[c:3](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:4]([C:25]([F:26])([F:27])[F:28])[n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][NH:15][C:16]([O:17][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[O:18])[cH:11][cH:12]1.[c:35]1([S:45](=[O:46])(=[O:47])[NH2:48])[cH:36][c:37]([S:41](=[O:42])(=[O:43])[NH2:44])[cH:38][cH:39][cH:40]1>>[CH3:1][c:2]1[c:3](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:4]([C:25]([F:26])([F:27])[F:28])[n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][NH:15][C:16](=[O:17])[NH:44][S:41]([c:37]2[cH:36][c:35]([S:45](=[O:46])(=[O:47])[NH2:48])[cH:40][cH:39][cH:38]2)(=[O:42])=[O:43])[cH:11][cH:12]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-8715bde52bbd45d88108a9e2d1ab5d7f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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