Acetate → 4-(methylsulfonyl)-Biphenyl-2-carboxylic acid

HRID 2342380Notes

Reaction equation

HRID 2342380 reaction equation
[C:32]([O-:33])(=[O:34])[CH3:35].[C:37]([O-:38])(=[O:39])[CH3:40].[ClH:30].[I:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:9][cH:10]1.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[OH2:31].[OH:15][B:16]([OH:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[Pd+2:36]>>[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][c:8]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 574452812-Iodo-5-methanesulfonyl-benzoic acid

Product 1

HCID 574452544-(methylsulfonyl)-Biphenyl-2-carboxylic acid

Sources & evidence

ORD record
ord-249bbf0be28b4da8b0e9bd2020e4d9c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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