Benzenesulfonamide → 11-[(Phenylsulfonyl)aminocarbonyl]methylthio-2-(quinolin-2-yl)methoxy-6,11-dihydrodibenz[b,e]oxepine
반응식
[C:1](=[O:2])([OH:3])[CH2:4][S:5][CH:6]1[c:7]2[c:8]([cH:17][cH:18][c:19]([O:21][CH2:22][c:23]3[n:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[cH:31][cH:32]3)[cH:20]2)[O:9][CH2:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2.[c:33]1([S:39](=[O:40])(=[O:41])[NH2:42])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[C:1](=[O:3])([CH2:4][S:5][CH:6]1[c:7]2[c:8]([cH:17][cH:18][c:19]([O:21][CH2:22][c:23]3[n:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[cH:31][cH:32]3)[cH:20]2)[O:9][CH2:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)[NH:42][S:39]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)(=[O:40])=[O:41]참가 물질
3
출처 및 근거
- ORD 기록
- ord-4ceaa43366814bcd9485fc98000a226f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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