Dichloromethane → 4-(8-Ethoxy-4-oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-pyridine-2-carbonitrile
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[cH:27][c:28]([C:32]#[N:33])[n:29][cH:30][cH:31]2)=[O:34])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([O:14][CH2:15][CH3:16])[cH:13]1)([CH3:6])([CH3:25])[CH3:35].[Cl:43][CH2:44][Cl:45].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[N:7]1=[C:24]([c:26]2[cH:27][c:28]([C:32]#[N:33])[n:29][cH:30][cH:31]2)[CH2:23][C:22](=[O:34])[NH:21][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][CH3:16])[c:11]([C:17]([F:18])([F:19])[F:20])[cH:10]2참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-27b9843274b64b93a61843c031ad4a66
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)