Acetic Acid → 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid isopropyl ester
Reaction equation
[CH2:31]([Cl:32])[Cl:33].[CH2:34]([CH3:35])[O:36][C:37](=[O:38])[CH:39]1[C:40](=[O:57])[NH:41][c:42]2[c:43]([cH:52][c:53]([Cl:56])[cH:54][cH:55]2)[C:44]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)=[N:45]1.[CH3:58][C:59](=[O:60])[OH:61].[CH:2]([O:3][C:4]([c:5]1[n:6]([CH2:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13])[c:14](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[c:22]1[cH:23][cH:24][c:25]([Cl:26])[cH:27]2)=[O:28])([CH3:29])[CH3:30].[ClH:1]>>[CH3:2][CH:34]([CH3:35])[O:36][C:37](=[O:38])[CH:39]1[C:40](=[O:57])[NH:41][c:42]2[c:43]([cH:52][c:53]([Cl:56])[cH:54][cH:55]2)[C:44]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)=[N:45]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4e339038b8624bc9ad9cfc248bbef9f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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