Dichloromethane → 8-(4-Fluoro-phenyl)-4-(2-imidazol-1-yl-thiazol-4-yl)-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:26]2[n:27][c:28](-[n:31]3[cH:32][n:33][cH:34][cH:35]3)[s:29][cH:30]2)=[O:36])[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])([CH3:25])[CH3:37].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[N:7]1=[C:24]([c:26]2[n:27][c:28](-[n:31]3[cH:32][n:33][cH:34][cH:35]3)[s:29][cH:30]2)[CH2:23][C:22](=[O:36])[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-f721a2a265de4ce7b4b19bb39e827076
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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