Ethanol → 6-[(4-tert-butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine-8-carbohydrazide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][c:16]3[c:17]([n:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[NH:18][c:19]3[c:20]2[cH:21][c:22]([C:25]([O:27][CH3:26])=[O:28])[cH:23][cH:24]3)[cH:9][cH:10]1.[CH3:40][CH2:41][OH:42].[NH2:38][NH2:39].[OH2:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][c:16]3[c:17]([n:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[NH:18][c:19]3[c:20]2[cH:21][c:22]([C:25](=[O:27])[NH:38][NH2:39])[cH:23][cH:24]3)[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-3d484a47f7dc4fc7b1f073d8aebb35d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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