Dichloromethane → 8-Chloro-4-[3-(2-methyl-pyridin-3-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:15][C:16]([CH2:17][C:18](=[O:5])[c:20]2[cH:21][c:22](-[c:26]3[c:27]([CH3:32])[n:28][cH:29][cH:30][cH:31]3)[cH:23][cH:24][cH:25]2)=[O:33])[cH:10][c:11]([Cl:14])[cH:12][cH:13]1)([CH3:6])([CH3:19])[CH3:34].[Cl:42][CH2:43][Cl:44].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[N:7]1=[C:18]([c:20]2[cH:21][c:22](-[c:26]3[c:27]([CH3:32])[n:28][cH:29][cH:30][cH:31]3)[cH:23][cH:24][cH:25]2)[CH2:17][C:16](=[O:33])[NH:15][c:9]2[c:8]1[cH:13][cH:12][c:11]([Cl:14])[cH:10]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-ddf814e4cc0f41b39f430ba293bc501a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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