Acetate → 2-(3,5-Bis(trifluoromethyl)phenyl)-5-Methylbenzoic Acid

HRID 165400Notes

Reaction equation

HRID 165400 reaction equation
[C:26]([O-:27])(=[O:28])[CH3:29].[C:31]([O-:32])(=[O:33])[CH3:34].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:8]([OH:9])=[O:10])[cH:7]1.[F:11][C:12]([c:13]1[cH:14][c:15]([I:23])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)([F:24])[F:25].[Pd+2:30]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:15]2[cH:14][c:13]([C:12]([F:11])([F:24])[F:25])[cH:18][c:17]([C:19]([F:20])([F:21])[F:22])[cH:16]2)[c:6]([C:8]([OH:9])=[O:10])[cH:7]1

Participants

5

Reactant 4

HCID 175Acetate2×HCID 74183-Methylbenzoic acidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6309701-Iodo-3,5-bis(trifluoromethyl)benzene

Product 1

HCID 575434202-(3,5-Bis(trifluoromethyl)phenyl)-5-Methylbenzoic Acid

Sources & evidence

ORD record
ord-bb058a3f6b3d4204990f94d4285d8f2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…