Acetate → 7-(3,5-Bis(trifluoromethyl)phenyl)-2-methyl-1-indanone

HRID 2153467Notes

Reaction equation

HRID 2153467 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2.[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH2:55]([CH2:56][O:57][CH3:58])[O:59][CH3:60].[F:13][C:14]([c:15]1[cH:16][c:17]([B:25]([OH:26])[OH:27])[cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]1)([F:28])[F:29].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:70].[Pd+2:65].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[c:2]1(-[c:17]2[cH:16][c:15]([C:14]([F:13])([F:28])[F:29])[cH:20][c:19]([C:21]([F:22])([F:23])[F:24])[cH:18]2)[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1562653,5-Bis-trifluoromethylphenylboronic acidHCID 158697837-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one

Product 1

HCID 221731877-(3,5-Bis(trifluoromethyl)phenyl)-2-methyl-1-indanone

Sources & evidence

ORD record
ord-e35032d3722d4e9e839caa0d881fc760
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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