Citric Acid → 2-Fluorothioanisole

HRID 159411Notes

Reaction equation

HRID 159411 reaction equation
[C:11](=[O:12])([O-:13])[O-:14].[F:1][c:2]1[c:3]([SH:8])[cH:4][cH:5][cH:6][cH:7]1.[I:9][CH3:10].[K+:15].[K+:16].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH:17][C:18]([CH2:19][C:20]([C:21](=[O:22])[OH:23])([CH2:24][C:25](=[O:26])[OH:27])[OH:28])=[O:29]>>[F:1][c:2]1[c:3]([S:8][CH3:11])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6328Methyl iodideHCID 19660Carbonate IonHCID 5202162-Fluorothiophenol

Product 1

HCID 27747622-Fluorothioanisole

Sources & evidence

ORD record
ord-8c1b607fa2b444db9681451426825314
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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