Potassium Cation → Methyl 2-(3,4,5-trifluorophenyl)isonicotinate

HRID 89357Notes

Reaction equation

HRID 89357 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1.[C:24](=[O:25])([O-:26])[O-:27].[CH3:30][OH:31].[Cl:32][CH2:33][Cl:34].[F:12][c:13]1[cH:14][c:15]([B:21]([OH:22])[OH:23])[cH:16][c:17]([F:20])[c:18]1[F:19].[K+:28].[K+:29].[Pd:35]([Cl:36])[Cl:37]>>[c:2]1(-[c:15]2[cH:14][c:13]([F:12])[c:18]([F:19])[c:17]([F:20])[cH:16]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 887MethanolHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 2734671(3,4,5-Trifluorophenyl)boronic Acid (contains varying amounts of Anhydride)HCID 38477682-Bromo-isonicotinic acid methyl ester

Product 1

HCID 66732308Methyl 2-(3,4,5-trifluorophenyl)isonicotinate

Sources & evidence

ORD record
ord-5e4d1f9ccdcd486db6231149397655e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…