Benzene → 8,11-Dichloro-5H-dibenzo[b,e][1,4]diazepine
반응식
[C:23](=[O:24])([O-:25])[O-:26].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[NH:7][C:8](=[O:16])[c:9]1[c:10]([cH:12][cH:13][cH:14][cH:15]1)[NH:11]2.[Na+:27].[Na+:28].[P:18]([Cl:19])([Cl:20])([Cl:21])=[O:22].[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]=[C:8]([Cl:20])[c:9]1[c:10]([cH:12][cH:13][cH:14][cH:15]1)[NH:11]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-841492745b744b178147e52c210c3773
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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