Acetate → Methyl 4'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylate

HRID 680679Notes

Reaction equation

HRID 680679 reaction equation
[Br:14][c:15]1[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]1.[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH3:52][OH:53].[CH3:54][C:55](=[O:56])[CH3:57].[Cs+:45].[F-:44].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1)([F:12])[F:13].[Pd+2:62].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]2)[cH:7][cH:8]1)([F:12])[F:13]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 180AcetoneHCID 887MethanolHCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 12081Methyl 4-bromobenzoateHCID 28179Fluoride IonHCID 104967Cesium cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343894-(Trifluoromethyl)phenylboronic acid

Product 1

HCID 4328569Methyl 4'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylate

Sources & evidence

ORD record
ord-f3534bef3a4e4d0c8cc84be12f10e630
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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