Ethanol → 8-Chloro-2-methyl-5,6-dihydro-4-oxo-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine
반응식
[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:25][CH2:26][OH:27].[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:24]1)[CH:7]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[NH:8][C:9](=[O:17])[c:10]1[n:11]-2[n:12][c:13]([CH:15]=[O:16])[cH:14]1.[NH2:29][NH2:30].[OH2:28]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:24]1)[CH:7]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[NH:8][C:9](=[O:17])[c:10]1[n:11]-2[n:12][c:13]([CH3:15])[cH:14]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-9db2bd52fd434cab9c5f837a2af9dc20
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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