Acetate → 3-(3,5-difluorophenyl)benzoic Acid

HRID 2156580Notes

Reaction equation

HRID 2156580 reaction equation
[F:1][c:2]1[cH:3][c:4]([B:9]([OH:10])[OH:11])[cH:5][c:6]([F:8])[cH:7]1.[I:12][c:13]1[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][cH:21]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[O-:30][C:31]([CH3:32])=[O:33].[O-:34][C:35]([CH3:36])=[O:37].[OH2:28].[Pd+2:29]>>[F:1][c:2]1[cH:3][c:4](-[c:13]2[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][cH:21]2)[cH:5][c:6]([F:8])[cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 120603-Iodobenzoic acidHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734338(3,5-Difluorophenyl)boronic acid

Product 1

HCID 114248163-(3,5-difluorophenyl)benzoic Acid

Sources & evidence

ORD record
ord-a26980a3e6144966a4118a225ac3012e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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