Acetate → 4'-Methoxy-3-methyl[1,1'-biphenyl]-4-carboxylic acid

HRID 1562964Notes

Reaction equation

HRID 1562964 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:12][O:13][c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1.[CH3:29][CH2:30][OH:31].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:39].[Pd+2:50]>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([O:13][CH3:12])[cH:19][cH:18]2)[cH:3][c:4]([CH3:11])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 995704-Bromo-2-methylbenzoic acidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 201262(4-Methoxyphenyl)boronic acid

Product 1

HCID 136359884'-Methoxy-3-methyl[1,1'-biphenyl]-4-carboxylic acid

Sources & evidence

ORD record
ord-ff8a5a0079754cd0aaf695bc708813ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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