Sodium ion → N-(2-Bromo-5-cyano-3-hydroxy-6-methyl-3'-nitrobiphenyl-4-yl)-2,2-dimethylpropionamide

HRID 115341

Reaction equation

[Br:1][c:2]1[c:3](-[c:20]2[cH:21][c:22]([N+:26](=[O:27])[O-:28])[cH:23][cH:24][cH:25]2)[c:4]([CH3:19])[c:5]([C:17]#[N:18])[c:6]([NH:10][C:11]([C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[c:7]1[O:8][CH3:9].[Br:29][B:30]([Br:31])[Br:32].[Cl:39][CH2:40][Cl:41].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:42]>>[Br:1][c:2]1[c:3](-[c:20]2[cH:21][c:22]([N+:26](=[O:27])[O-:28])[cH:23][cH:24][cH:25]2)[c:4]([CH3:19])[c:5]([C:17]#[N:18])[c:6]([NH:10][C:11]([C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[c:7]1[OH:8]

Participants

Reactant 6

HCID 923Sodium ion2×

HCID 962Water

HCID 6344Dichloromethane

HCID 19660Carbonate Ion

HCID 25134Boron tribromide

HCID 86630799N-(2-Bromo-5-cyano-3-methoxy-6-methyl-3'-nitrobiphenyl-4-yl)-2,2-dimethylpropionamide

Product 1

HCID 86630803N-(2-Bromo-5-cyano-3-hydroxy-6-methyl-3'-nitrobiphenyl-4-yl)-2,2-dimethylpropionamide

Sources & evidence

ORD record: ord-828640e67a614f0693b1281d5a275741
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

Loading…