Dichloromethane → 7-Dimethylamino-4-(3-[1,2,4]triazol-4-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Reaction equation
[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:25]2[cH:26][c:27](-[n:31]3[cH:32][n:33][n:34][cH:35]3)[cH:28][cH:29][cH:30]2)=[O:37])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)([CH3:6])([CH3:36])[CH3:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[N:7]1=[C:24]([c:25]2[cH:26][c:27](-[n:31]3[cH:32][n:33][n:34][cH:35]3)[cH:28][cH:29][cH:30]2)[CH2:23][C:22](=[O:37])[NH:21][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH3:15])[CH3:16])[c:11]([C:17]([F:18])([F:19])[F:20])[cH:10]2Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-62909add2f444a13b7ba11a6d6e8cf65
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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