Ethanol → 1-[(aminooxy)methyl]-8-nitro-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine
Reaction equation
[CH3:41][CH2:42][OH:43].[N+:4](=[O:5])([O-:6])[c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:40]1)[C:12]([c:33]1[c:34]([Cl:39])[cH:35][cH:36][cH:37][cH:38]1)=[N:13][CH2:14][c:15]1[n:16]-2[c:17]([CH2:20][O:21][N:22]2[C:23](=[O:24])[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]3[C:31]2=[O:32])[n:18][n:19]1.[NH2:2][NH2:3].[OH2:1]>>[N+:4](=[O:5])([O-:6])[c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:40]1)[C:12]([c:33]1[c:34]([Cl:39])[cH:35][cH:36][cH:37][cH:38]1)=[N:13][CH2:14][c:15]1[n:16]-2[c:17]([CH2:20][O:21][NH2:22])[n:18][n:19]1Participants
5
Sources & evidence
- ORD record
- ord-3257a2a4fe7a4db79f94c422b461dede
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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