Acetate → 4-Chloro-2-iodo-6-methylbenzoic acid

HRID 2328629Notes

Reaction equation

HRID 2328629 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[I:12][NH:13][C:14](=[O:15])[CH2:16][CH2:17][C:18]([NH2:19])=[O:20].[O-:28][C:29]([CH3:30])=[O:31].[O-:32][C:33]([CH3:34])=[O:35].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[OH2:21].[Pd+2:27]>>[Cl:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([C:6](=[O:7])[OH:8])[c:9]([I:12])[cH:10]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 3482694-Chloro-2-methylbenzoic acidHCID 21864724N-Iodosuccinamide

Product 1

HCID 671931174-Chloro-2-iodo-6-methylbenzoic acid

Sources & evidence

ORD record
ord-93481dbbd86447ebbe8ea7863168cfae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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