4-Cyano-3-methylbenzoic acid → 1-(4-Cyano-3-methylbenzoyl)-5-ethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Reaction equation
[C:1](#[N:2])[c:3]1[c:4]([CH3:12])[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1.[CH2:13]([CH3:14])[N:15]1[CH2:16][CH2:17][CH2:18][NH:19][c:20]2[c:21]1[cH:22][cH:23][cH:24][cH:25]2>>[C:1](#[N:2])[c:3]1[c:4]([CH3:12])[cH:5][c:6]([C:7](=[O:9])[N:19]2[CH2:18][CH2:17][CH2:16][N:15]([CH2:13][CH3:14])[c:21]3[c:20]2[cH:25][cH:24][cH:23][cH:22]3)[cH:10][cH:11]1Participants
3
Sources & evidence
- ORD record
- ord-e0954ec4cfe04e039ef012c7a7ebe6f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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