Chloride → (+/-)-8-Methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carbonitrile

HRID 137849

Reaction equation

[CH3:1][CH:2]1[NH:3][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.[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[Cl-:30].[K+:31].[N:32]#[C:33][Br:34].[OH2:35]>>[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

Participants

Reactant 6

HCID 312Chloride

HCID 813Potassium Cation

HCID 962Water

HCID 6228Dimethylformamide

HCID 10476Cyanogen Bromide

HCID 103364221-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine

Product 1

HCID 12137416(+/-)-8-Methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carbonitrile

Sources & evidence

ORD record: ord-34c8d68468cb4e399d3c2b57be2681b1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Linked notes

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