Acetate → Trifluoroacetate

HRID 678519Notes

Reaction equation

HRID 678519 reaction equation
[C:34]([O-:35])(=[O:36])[CH3:37].[C:39]([OH:40])(=[O:41])[CH3:42].[Cl:8][c:9]1[cH:10][c:11]([CH2:32][CH3:33])[c:12]([CH2:15][c:16]2[cH:17][cH:18][c:19]([F:31])[c:20]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][NH2+:26][CH2:27][CH2:28][CH2:29]3)[cH:30]2)[n:13][n:14]1.[F:1][C:2]([C:3](=[O:4])[O-:5])([F:6])[F:7].[Na+:38]>>[F:1][C:2]([C:3](=[O:4])[O-:5])([F:6])[F:7].[c:9]1(=[O:36])[cH:10][c:11]([CH2:32][CH3:33])[c:12]([CH2:15][c:16]2[cH:17][cH:18][c:19]([F:31])[c:20]([C:21](=[O:22])[N:23]3[CH2:24][CH2:25][NH2+:26][CH2:27][CH2:28][CH2:29]3)[cH:30]2)[n:13][nH:14]1

Participants

7

Reactant 5

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 84468TrifluoroacetateHCID 178436499HCID 178436499, compound

Product 2

HCID 84468TrifluoroacetateHCID 178436957HCID 178436957, compound

Sources & evidence

ORD record
ord-e90b2c0829504e8ba10eb787b939c8bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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