Acetate → (+/-)-8-Methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carbamidoxime
Reaction equation
[CH3:1][CH:2]1[N:3]([C:25]#[N:26])[N:4]=[C:5]([c:16]2[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]2)[c:6]2[c:7]([cH:9][c:10]3[c:11]([cH:12]2)[O:13][CH2:14][O:15]3)[CH2:8]1.[CH3:28][C:29](=[O:30])[O-:31].[CH3:35][O:36][CH2:37][CH2:38][OH:39].[ClH:32].[NH2:33][OH:34].[Na+:27]>>[CH3:1][CH:2]1[N:3]([C:25]([NH2:26])=[N:33][OH:34])[N:4]=[C:5]([c:16]2[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]2)[c:6]2[c:7]([cH:9][c:10]3[c:11]([cH:12]2)[O:13][CH2:14][O:15]3)[CH2:8]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-f8d89866902f48b29c69f7b776dcb3a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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