Acetone → Trifluoroacetic acid

HRID 2131588Notes

Reaction equation

HRID 2131588 reaction equation
[CH3:45][C:46](=[O:47])[CH3:48].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[I:42][CH2:43][CH3:44].[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41].[nH:8]1[c:9](-[c:17]2[cH:18][c:19]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][c:28]([C:33](=[NH:34])[NH2:35])[s:29][c:30]3[S:31][CH3:32])[cH:20][cH:21][cH:22]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[n:8]1([CH2:43][CH3:44])[c:9](-[c:17]2[cH:18][c:19]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][c:28]([C:33](=[NH:34])[NH2:35])[s:29][c:30]3[S:31][CH3:32])[cH:20][cH:21][cH:22]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

8

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 6340IodoethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 21057062HCID 21057062, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 21057061HCID 21057061, compound

Sources & evidence

ORD record
ord-e56cc21882cb468fb128bf8efaea9c92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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