Chloride → 4-(3-{5-[(Cyclopropylmethyl-amino)-methyl]-[1,2,3]triazol-1-yl}-phenyl)-7-(isobutyl-methyl-amino)-8-methyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Reaction equation
[CH:38]1([CH2:41][NH2:42])[CH2:39][CH2:40]1.[Cl-:37].[Cl:43][CH2:44][Cl:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:1][CH2:2][c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([CH3:32])[c:24]([N:26]([CH3:27])[CH2:28][CH:29]([CH3:30])[CH3:31])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1.[S:33]([Cl:34])([Cl:35])=[O:36]>>[CH2:2]([c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([CH3:32])[c:24]([N:26]([CH3:27])[CH2:28][CH:29]([CH3:30])[CH3:31])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1)[NH:42][CH2:41][CH:38]1[CH2:39][CH2:40]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-4ef7c7c9da28406893c4262d4d74d7d3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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