Dichloromethane → 8-Chloro-4-(3-pyrimidin-5-yl-phenyl)-7-trifluoromethyl-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:19][C:20]([CH2:21][C:22](=[O:5])[c:23]2[cH:24][c:25](-[c:29]3[cH:30][n:31][cH:32][n:33][cH:34]3)[cH:26][cH:27][cH:28]2)=[O:36])[cH:10][c:11]([Cl:18])[c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)([CH3:6])([CH3:35])[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:22]([c:23]2[cH:24][c:25](-[c:29]3[cH:30][n:31][cH:32][n:33][cH:34]3)[cH:26][cH:27][cH:28]2)[CH2:21][C:20](=[O:36])[NH:19][c:9]2[c:8]1[cH:13][c:12]([C:14]([F:15])([F:16])[F:17])[c:11]([Cl:18])[cH:10]2참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-e69212a929134af68eb6a61fd148ea39
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
- DOI