Hydrochloric Acid → Hydrochloric Acid

HRID 2321849Notes

Reaction equation

HRID 2321849 reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[C:35]([O:36][CH3:37])([CH3:38])([CH3:39])[CH3:40].[CH3:33][OH:34].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1.[ClH:32].[F:12][c:13]1[c:14]([B:23]([OH:24])[OH:25])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1.[K+:30].[K+:31].[Pd:41]([Cl:42])[Cl:43]>>[ClH:1].[c:2]1(-[c:14]2[c:13]([F:12])[cH:18][c:17]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:15]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 15413tert-Butyl methyl etherHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 2736842Methyl 2-chloropyridine-4-carboxylateHCID 164141452-Fluoro-4-(trifluoromethyl)benzeneboronic acid

Product 2

HCID 313Hydrochloric AcidHCID 66732339Methyl 2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate

Sources & evidence

ORD record
ord-4943cf6e08634dcb83538c3013de432f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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