Chloride → 4-(3-{2-[(Methyl-propyl-amino)-methyl]-pyridin-4-yl}-phenyl)-7-(2,2,2-trifluoro-ethoxy)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Reaction equation
[CH3:42][NH:43][CH2:44][CH2:45][CH3:46].[Cl-:41].[Cl:47][CH2:48][Cl:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[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:33]([F:34])([F:35])[F:36])[c:25]([O:27][CH2:28][C:29]([F:30])([F:31])[F:32])[cH:26]4)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:12][cH:13][cH:14]2)[cH:8]1.[S:37]([Cl:38])([Cl:39])=[O:40]>>[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:33]([F:34])([F:35])[F:36])[c:25]([O:27][CH2:28][C:29]([F:30])([F:31])[F:32])[cH:26]4)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:12][cH:13][cH:14]2)[cH:8]1)[N:43]([CH3:42])[CH2:44][CH2:45][CH3:46]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-842235aecd874d9b8236da6bc3a796ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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