Acetate → 7-(2-Trifluoromethyl-phenyl)-quinolin-4-ol

HRID 164837Notes

Reaction equation

HRID 164837 reaction equation
[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[CH:26]1([P:27]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2-[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([OH:12])[cH:7][cH:8][n:9][c:10]2[cH:11]1.[F:13][C:14]([c:15]1[c:16]([B:21]([OH:22])[OH:23])[cH:17][cH:18][cH:19][cH:20]1)([F:24])[F:25].[K+:56].[K+:57].[K+:58].[OH2:74].[P:51]([O-:52])([O-:53])([O-:54])=[O:55].[Pd+2:63]>>[c:2]1(-[c:16]2[c:15]([C:14]([F:13])([F:24])[F:25])[cH:20][cH:19][cH:18][cH:17]2)[cH:3][cH:4][c:5]2[c:6]([OH:12])[cH:7][cH:8][n:9][c:10]2[cH:11]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 27343872-(Trifluoromethyl)benzeneboronic acidHCID 178516426HCID 178516426, compound

Product 1

HCID 1785163737-(2-Trifluoromethyl-phenyl)-quinolin-4-ol

Sources & evidence

ORD record
ord-d9af2da4ba15498195d6468d19aeeb5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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