Potassium Cation → 2-Anilino-4-fluorobenzoic acid

HRID 2346622Notes

Reaction equation

HRID 2346622 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH3:26][CH2:27][O:28][CH2:29][CH2:30][OH:31].[Cu:32].[Cu:33][I:34].[F:1][c:2]1[cH:3][c:4]([Br:11])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[K+:23].[K+:24].[NH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[OH2:25]>>[F:1][c:2]1[cH:3][c:4]([NH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 6115AnilineHCID 8076Glycol monoethyl etherHCID 19660Carbonate IonHCID 23978CopperHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 12681692-Bromo-4-fluorobenzoic acid

Product 1

HCID 217338392-Anilino-4-fluorobenzoic acid

Sources & evidence

ORD record
ord-fa0969c5a08a4c738ec24c3be0dc4e0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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