Potassium Cation → Methyl 2-(3,5-difluoro-4-(trifluoromethyl)phenyl)isonicotinate

HRID 2340248Notes

Reaction equation

HRID 2340248 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[CH3:42][OH:43].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1.[Cl:39][CH2:40][Cl:41].[F:18][c:19]1[cH:20][c:21]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:22][c:23]([F:29])[c:24]1[C:25]([F:26])([F:27])[F:28].[K+:16].[K+:17].[OH2:47].[Pd:44]([Cl:45])[Cl:46]>>[c:2]1(-[c:21]2[cH:20][c:19]([F:18])[c:24]([C:25]([F:26])([F:27])[F:28])[c:23]([F:29])[cH:22]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 2736842Methyl 2-chloropyridine-4-carboxylateHCID 667348552-(3,5-Difluoro-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product 1

HCID 66732493Methyl 2-(3,5-difluoro-4-(trifluoromethyl)phenyl)isonicotinate

Sources & evidence

ORD record
ord-84dcb1bd475449beadf0b4348c8e037d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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