Acetic Acid → 7-chloro-N-(2-chloroethyl)-5-(o-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-1-carboxamide 4-oxide

HRID 1132701Notes

Reaction equation

HRID 1132701 reaction equation
[C:31]([O:32][OH:33])(=[O:34])[CH3:35].[CH3:27][C:28](=[O:29])[OH:30].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:25]1)[C:7]([c:18]1[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]1)=[N:8][CH2:9][CH2:10][N:11]2[C:12](=[O:13])[NH:14][CH2:15][CH2:16][Cl:17].[OH2:26]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:25]1)[C:7]([c:18]1[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]1)=[N+:8]([O-:26])[CH2:9][CH2:10][N:11]2[C:12](=[O:13])[NH:14][CH2:15][CH2:16][Cl:17]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 6585Peracetic AcidHCID 20333751HCID 20333751, compound

Product 1

HCID 203337717-chloro-N-(2-chloroethyl)-5-(o-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-1-carboxamide 4-oxide

Sources & evidence

ORD record
ord-f96c3c90994844a0b2bb4ee47e61b30b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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