Ethanol → 1-(2-toluoylmethyl)-2-oxo-3-amino-5-pivaloyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Reaction equation
[CH3:37][CH2:38][OH:39].[c:1]1([CH3:36])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:35])[CH:12]([NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:13][N:14]([C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH3:36])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:35])[CH:12]([NH2:27])[CH2:13][N:14]([C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-f2909a47e6a54419be4fc6ece0634f78
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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