Acetate → 2',4'-Difluoro-5-(1-hydroxy-1-methylethyl)biphenyl-3-carboxylic acid

HRID 303525Notes

Reaction equation

HRID 303525 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[OH:14])[cH:10]1.[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH:26]([NH:27][CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[F:15][c:16]1[c:17]([B:23]([OH:24])[OH:25])[cH:18][cH:19][c:20]([F:22])[cH:21]1.[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[OH2:38].[Pd+2:39]>>[c:2]1(-[c:17]2[c:16]([F:15])[cH:21][c:20]([F:22])[cH:19][cH:18]2)[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[OH:14])[cH:10]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 7912DiisopropylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343342,4-Difluorophenylboronic acidHCID 685013573-Bromo-5-(1-hydroxy-1-methylethyl)benzoic acid

Product 1

HCID 685009892',4'-Difluoro-5-(1-hydroxy-1-methylethyl)biphenyl-3-carboxylic acid

Sources & evidence

ORD record
ord-e77cb68a1207406781530dfc524049ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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