Dichloromethane → 8-(4-Fluoro-phenyl)-4-(3-[1,2,4]triazol-1-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:21][C:22]([CH2:23][C:24](=[O:5])[c:25]2[cH:26][c:27](-[n:31]3[n:32][cH:33][n:34][cH:35]3)[cH:28][cH:29][cH:30]2)=[O:37])[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[cH:12][cH:13]1)([CH3:6])([CH3:36])[CH3:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[N:7]1=[C:24]([c:25]2[cH:26][c:27](-[n:31]3[n:32][cH:33][n:34][cH:35]3)[cH:28][cH:29][cH:30]2)[CH2:23][C:22](=[O:37])[NH:21][c:9]2[c:8]1[cH:13][cH:12][c:11](-[c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[cH:10]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-b542ac8a8392491f98fd1a4f0a3fffad
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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