Sodium ion → 2-(3-dimethylaminopropylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine

HRID 2152667Notes

Reaction equation

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

Participants

Reactant 6

HCID 923Sodium ion

HCID 962Water

HCID 6228Dimethylformamide

HCID 669603-Chloro-N,N-dimethyl-1-propanamine

HCID 166653Hydride

HCID 8267037-chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione

Product 1

HCID 129470492-(3-dimethylaminopropylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine

Sources & evidence

ORD record: ord-bd07ec31304a461cb8e3eda76e5b1b6b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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