Sodium Ion → 2,4-Dioxo-1-(3-methylbut-1-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

Reaction equation

[Br:22][CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27].[H-:2].[Na+:1].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32].[O:3]=[C:4]1[CH2:5][C:6](=[O:21])[N:7]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:8]2[c:9]([cH:11][cH:12][cH:13][cH:14]2)[NH:10]1.[OH2:33]>>[O:3]=[C:4]1[CH2:5][C:6](=[O:21])[N:7]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:8]2[c:9]([cH:11][cH:12][cH:13][cH:14]2)[N:10]1[CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27]

Participants

Reactant 6

HCID 923Sodium Ion

HCID 962Water

HCID 6228Dimethylformamide

HCID 78911-Bromo-3-methylbutane

HCID 166653Hydride

HCID 10824683N-Desmethyl Dechloro Clobazam

Product 1

HCID 106158322,4-Dioxo-1-(3-methylbut-1-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

Sources & evidence

ORD record: ord-f6195835ee264d08912a1aa23aab1892
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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