Dimethylformamide → N-(4-Bromo-phenyl)-4-(4-hydroxy-phenylsulfanyl)-3-nitro-benzamide

HRID 2137201Notes

Reaction equation

HRID 2137201 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([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:6][cH:7]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cs+:33].[Cs+:34].[SH:21][c:22]1[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12]([N+:17](=[O:18])[O-:19])[c:13]([S:21][c:22]3[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]3)[cH:14][cH:15]2)=[O:20])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2401474-MercaptophenolHCID 1068537N-(4-bromophenyl)-4-chloro-3-nitrobenzamide

Product 1

HCID 67040744N-(4-Bromo-phenyl)-4-(4-hydroxy-phenylsulfanyl)-3-nitro-benzamide

Sources & evidence

ORD record
ord-8690ccc65d3a4a7191d349f0bbf0409b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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