Acetate → 4-Bromo-2-chloro-6-methylbenzoic acid

Reaction equation

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

Participants

Reactant 6

HCID 175Acetate2×

HCID 962Water

HCID 6228Dimethylformamide

HCID 31398Chlorosuccinimide

HCID 995704-Bromo-2-methylbenzoic acid

HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

Product 1

HCID 566042464-Bromo-2-chloro-6-methylbenzoic acid

Sources & evidence

ORD record: ord-cc9f5cc2951242318eaa444512af8fad
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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