Acetate → 5-(Trifluoromethyl)biphenyl-2-carboxylic acid

HRID 1205345Notes

Reaction equation

HRID 1205345 reaction equation
[I:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[O-:32][C:33]([CH3:34])=[O:35].[O-:36][C:37]([CH3:38])=[O:39].[OH2:30].[OH:15][B:16]([OH:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[Pd+2:31]>>[c:2]1(-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 162440902-Iodo-4-(trifluoromethyl)benzoic acid

Product 1

HCID 463151975-(Trifluoromethyl)biphenyl-2-carboxylic acid

Sources & evidence

ORD record
ord-60880a65ade845d98b9d2c7bafa11928
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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