Potassium Cation → 1,3-Bis(trifluoromethyl)-5-(1,1,1-trifluoroprop-2-en-2-yl)benzene

HRID 1225147Notes

Reaction equation

HRID 1225147 reaction equation
[Br:18][C:19](=[CH2:20])[C:21]([F:22])([F:23])[F:24].[C:25](=[O:26])([O-:27])[O-:28].[CH:38]([c:39]1[cH:40][cH:41][cH:42][c:43]([CH:44]([CH3:45])[CH3:46])[c:47]1[N:48]1[CH:49]=[CH:50][N:51]([c:52]2[c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][cH:58][cH:59][c:60]2[CH:61]([CH3:62])[CH3:63])[C:64]1=[C:65]1[CH2:66][C:67](=[O:68])[c:69]2[c:70]([cH:71][cH:72][cH:73][cH:74]2)[C:75]1=[O:76])([CH3:77])[CH3:78].[F:1][C:2]([c:3]1[cH:4][c:5]([B:13]([OH:14])[OH:15])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:16])[F:17].[K+:29].[K+:30].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:36].[Pd:37]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:19](=[CH2:20])[C:21]([F:22])([F:23])[F:24])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:16])[F:17]

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 23938PalladiumHCID 1562653,5-Bis-trifluoromethylphenylboronic acidHCID 2726961-Propene, 2-bromo-3,3,3-trifluoro-HCID 866497732-[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]naphthalene-1,4-dione

Product 1

HCID 498208821,3-Bis(trifluoromethyl)-5-(1,1,1-trifluoroprop-2-en-2-yl)benzene

Sources & evidence

ORD record
ord-bb10262bf99a404eaa743d460824253e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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