Chloride → 4-(3-(2-(methoxymethyl)pyridin-4-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
Reaction equation
[CH3:37][O-:38].[CH3:43][OH:44].[Cl-:36].[Cl:40][CH2:41][Cl:42].[Na+:39].[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]>>[O: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)[CH3:37]Participants
8
Sources & evidence
- ORD record
- ord-47564bb4def6413f94c8b14e360b4487
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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