Sodium ion → 2-(2-dimethylaminoethylthio)-5-phenyl-7-nitro-3H-1,4-benzodiazepine

HRID 2150148Notes

Reaction equation

HRID 2150148 reaction equation
[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][Cl:29].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[H-:22].[Na+:23].[OH2:30].[c:1]1([C:7]2=[N:8][CH2:9][C:10](=[S:21])[NH:11][c:12]3[c:13]2[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2=[N:8][CH2:9][C:10]([S:21][CH2:28][CH2:27][N:25]([CH3:24])[CH3:26])=[N:11][c:12]3[c:13]2[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 79012-Chloro-N,N-dimethylethylamineHCID 166653HydrideHCID 53784912,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepine-2-thione

Product 1

HCID 129470722-(2-dimethylaminoethylthio)-5-phenyl-7-nitro-3H-1,4-benzodiazepine

Sources & evidence

ORD record
ord-d7b9918e11be4bb9bf1435654d06ab07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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