Acetate → 1-(2',5',5-Trifluoro-1,1'-biphenyl-2-yl)ethanone

HRID 292019

Reaction equation

HRID 292019 reaction equation
[Br-:29].[Br:18][c:19]1[c:20]([C:26]([CH3:27])=[O:28])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[C:12](=[O:13])([O-:14])[O-:15].[C:47]([O-:48])(=[O:49])[CH3:50].[C:52]([O-:53])(=[O:54])[CH3:55].[CH3:30][CH2:31][CH2:32][CH2:33][N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46].[F:1][c:2]1[c:3]([B:9]([OH:10])[OH:11])[cH:4][c:5]([F:8])[cH:6][cH:7]1.[K+:16].[K+:17].[Pd+2:51]>>[F:1][c:2]1[c:3](-[c:19]2[c:20]([C:26]([CH3:27])=[O:28])[cH:21][cH:22][c:23]([F:25])[cH:24]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 259Bromide ionHCID 813Potassium Cation2×HCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734335(2,5-Difluorophenyl)boronic acidHCID 27363041-(2-Bromo-4-fluorophenyl)ethan-1-one

Product 1

HCID 224822741-(2',5',5-Trifluoro-1,1'-biphenyl-2-yl)ethanone

Sources & evidence

ORD record
ord-d9f4fbeb4ee84d6abad5e97c5ac09d18
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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