Dichloromethane → 4-(3-{2-[(Isobutyl-methyl-amino)-methyl]-pyridin-4-yl}-phenyl)-7-methyl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Reaction equation
[CH2:36]([CH:37]([CH3:38])[CH3:39])[NH:40][CH3:41].[Cl:42][CH2:43][Cl:44].[OH:1][CH2:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[cH:10][c:11]([C:15]3=[N:16][c:17]4[c:18]([cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[c:25]([CH3:27])[cH:26]4)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:12][cH:13][cH:14]2)[cH:8]1.[S:32]([Cl:33])([Cl:34])=[O:35]>>[CH2:2]([c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[cH:10][c:11]([C:15]3=[N:16][c:17]4[c:18]([cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[c:25]([CH3:27])[cH:26]4)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:12][cH:13][cH:14]2)[cH:8]1)[N:40]([CH2:36][CH:37]([CH3:38])[CH3:39])[CH3:41]Participants
5
Sources & evidence
- ORD record
- ord-2aa4be713e6c47e7864e5ceefcc858db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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