Acetic Acid → Trifluoroacetic acid

HRID 2336504Notes

Reaction equation

HRID 2336504 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[CH3:45][S:46]([CH3:47])=[O:48].[OH:38][C:39](=[O:40])[C:41]([F:42])([F:43])[F:44].[OH:5][CH2:6][c:7]1[cH:8][c:9]([CH:15]([c:16]2[n:17][n:18](-[c:22]3[n:23][cH:24][cH:25][cH:26][n:27]3)[c:19](=[O:21])[nH:20]2)[NH:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[NH:34])[NH2:35])[cH:36][cH:37]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1>>[O:38]=[C:39]([OH:40])[C:41]([F:42])([F:43])[F:44].[OH:5][CH2:6][c:7]1[cH:8][c:9]([CH:15]([c:16]2[n:17][n:18](-[c:22]3[n:23][cH:24][cH:25][cH:26][n:27]3)[c:19](=[O:21])[nH:20]2)[NH:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[NH:34])[NH2:35])[cH:36][cH:37]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 6422Trifluoroacetic acidHCID 136173647HCID 136173647, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 136173647HCID 136173647, compound

Sources & evidence

ORD record
ord-6dc85a4e599f486880fcdb7437a0c130
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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