Hydrochloric Acid → 4-(3-Amino-phenylsulfanyl)-N-(3-bromo-phenyl)-3-nitro-benzamide

HRID 1134846Notes

Reaction equation

HRID 1134846 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:8][C:9]([c:10]2[cH:11][c:12]([N+:17](=[O:18])[O-:19])[c:13]([Cl:16])[cH:14][cH:15]2)=[O:20])[cH:5][cH:6][cH:7]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[ClH:35].[Cs+:33].[Cs+:34].[NH2:21][c:22]1[cH:23][c:24]([SH:28])[cH:25][cH:26][cH:27]1.[OH2:41]>>[Br:1][c:2]1[cH:3][c:4]([NH:8][C:9]([c:10]2[cH:11][c:12]([N+:17](=[O:18])[O-:19])[c:13]([S:28][c:24]3[cH:23][c:22]([NH2:21])[cH:27][cH:26][cH:25]3)[cH:14][cH:15]2)=[O:20])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 315773-AminothiophenolHCID 104967Cesium cation2×HCID 1368133N-(3-bromophenyl)-4-chloro-3-nitrobenzamide

Product 1

HCID 670402744-(3-Amino-phenylsulfanyl)-N-(3-bromo-phenyl)-3-nitro-benzamide

Sources & evidence

ORD record
ord-ddb96e6eba704b32a2d79c44507aef4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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