Acetate → Methyl 4'-hydroxy-2,2',6'-trimethylbiphenyl-3-carboxylate

HRID 284626Notes

Reaction equation

HRID 284626 reaction equation
[Br:21][c:22]1[c:23]([CH3:30])[cH:24][c:25]([OH:29])[cH:26][c:27]1[CH3:28].[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][cH:10][c:11]1[B:12]1[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]1.[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[c:46]([O:47][CH3:48])[cH:49][cH:50][cH:51][c:52]2[O:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[K+:65].[K+:66].[K+:67].[OH2:77].[P:60]([O-:61])([O-:62])([O-:63])=[O:64].[Pd+2:72]>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][cH:10][c:11]1-[c:22]1[c:23]([CH3:30])[cH:24][c:25]([OH:29])[cH:26][c:27]1[CH3:28]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 819704-Bromo-3,5-dimethylphenolHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 57422592Methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Product 1

HCID 57787600Methyl 4'-hydroxy-2,2',6'-trimethylbiphenyl-3-carboxylate

Sources & evidence

ORD record
ord-34a3548fb68e428996297ddc2edfe088
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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