Acetone → 5-Methanesulfonyl-2-(2,2,3,3,3-pentafluoro-propoxy)-benzoic acid methyl ester

HRID 1551225Notes

Reaction equation

HRID 1551225 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([OH:15])[c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14]1.[CH3:38][C:39](=[O:40])[CH3:41].[F:16][C:17]([CH2:18][O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])([C:27]([F:28])([F:29])[F:30])[F:31].[K+:36].[K+:37]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:15][CH2:18][C:17]([F:16])([C:27]([F:28])([F:29])[F:30])[F:31])[c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 27760192,2,3,3,3-Pentafluoropropyl trifluoromethanesulfonateHCID 235031632-Hydroxy-5-methylsulfonylbenzoic acid methyl ester

Product 1

HCID 866007065-Methanesulfonyl-2-(2,2,3,3,3-pentafluoro-propoxy)-benzoic acid methyl ester

Sources & evidence

ORD record
ord-502106a10fda4dbd87ae6a351b67753d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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