Bicarbonate Ion → 2-chloro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzamide

Reaction equation

[C:11](=[O:12])([O-:13])[OH:14].[Cl:16][c:17]1[c:18]([C:19](=[O:20])[Cl:21])[cH:22][cH:23][cH:24][c:25]1[C:26]([F:27])([F:28])[F:29].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:9])[c:6]([OH:8])[cH:7]1.[Na+:15].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH2:10]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:9])[c:6]([OH:8])[cH:7]1)[C:19]([c:18]1[c:17]([Cl:16])[c:25]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:23][cH:22]1)=[O:20]

Participants

Reactant 6

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 178185-Amino-2-methylphenol

HCID 38276332-Chloro-3-(trifluoromethyl)benzoyl chloride

Product 1

HCID 684175852-chloro-N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzamide

Sources & evidence

ORD record: ord-515c00455b394e87ab30ac7c8a35853f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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