Chloride → 8-Chloro-4-(3-{5-[(isobutyl-methyl-amino)-methyl]-[1,2,3]triazol-1-yl}-phenyl)-7-(isopropyl-methyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Reaction equation
[CH2:37]([CH:38]([CH3:39])[CH3:40])[NH:41][CH3:42].[Cl-:36].[Cl:1][c:2]1[c:3]([N:27]([CH3:28])[CH:29]([CH3:30])[CH3:31])[cH:4][c:5]2[c:6]([cH:26]1)[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[n:18]3[n:19][n:20][cH:21][c:22]3[CH2:23][OH:24])[cH:15][cH:16][cH:17]1)=[N:11]2.[Cl:43][CH2:44][Cl:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[S:32]([Cl:33])([Cl:34])=[O:35]>>[Cl:1][c:2]1[c:3]([N:27]([CH3:28])[CH:29]([CH3:30])[CH3:31])[cH:4][c:5]2[c:6]([cH:26]1)[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[n:18]3[n:19][n:20][cH:21][c:22]3[CH2:23][N:41]([CH2:37][CH:38]([CH3:39])[CH3:40])[CH3:42])[cH:15][cH:16][cH:17]1)=[N:11]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-41846ebe005b4af5ad0e1d67014af51d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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