Acetate → 2'-Methyl-biphenyl-3-carboxylic acid

HRID 166315

Reaction equation

HRID 166315 reaction equation
[CH:27]1([P:28]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2-[c:41]2[c:42]([O:43][CH3:44])[cH:45][cH:46][c:47]([S:48]([O-:49])(=[O:50])=[O:51])[c:52]2[O:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[K+:21].[K+:22].[Na+:60].[O-:23][C:24]([O-:25])=[O:26].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[OH2:61].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([Cl:9])[cH:10]1.[Pd+2:62].[c:11]1([CH3:20])[c:12]([B:17]([OH:18])[OH:19])[cH:13][cH:14][cH:15][cH:16]1>>[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8](-[c:12]2[c:11]([CH3:20])[cH:16][cH:15][cH:14][cH:13]2)[cH:10]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 4473-Chlorobenzoic AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27332672-Methylphenyl boronic acidHCID 863145343-(2-Dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate

Product 1

HCID 27598142'-Methyl-biphenyl-3-carboxylic acid

Sources & evidence

ORD record
ord-b4ffc0204cde44cb8dbaa7ca82902502
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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