Chloride → 5-(5-Aminopyridin-3-yl)-7-chloro-3-(2-chlorobenzyl)-1H-benzo[e][1,4]diazepin-2(3H)-one
Reaction equation
[Al+3:39].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:49][O:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl-:38].[Cl-:40].[Cl-:41].[NH2:1][c:2]1[cH:3][c:4]([C:8]2=[N:14][CH:13]([CH2:15][c:16]3[c:17]([Cl:22])[cH:18][cH:19][cH:20][cH:21]3)[C:12](=[O:23])[N:11]([CH2:24][c:25]3[cH:26][cH:27][c:28]([O:29][CH3:30])[cH:31][cH:32]3)[c:10]3[c:9]2[cH:36][c:35]([Cl:37])[cH:34][cH:33]3)[cH:5][n:6][cH:7]1.[OH2:42]>>[NH2:1][c:2]1[cH:3][c:4]([C:8]2=[N:14][CH:13]([CH2:15][c:16]3[c:17]([Cl:22])[cH:18][cH:19][cH:20][cH:21]3)[C:12](=[O:23])[NH:11][c:10]3[c:9]2[cH:36][c:35]([Cl:37])[cH:34][cH:33]3)[cH:5][n:6][cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-cabd9c36009345dc9b7eed51472217d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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