Acetic Acid → Trifluoroacetic acid

HRID 1547633Notes

Reaction equation

HRID 1547633 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:36][C:37]([CH3:38])=[O:39].[CH3:40][C:41](=[O:42])[OH:43].[Cl:58][CH2:59][Cl:60].[Cl:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]2[CH2:16][C:17](=[O:33])[N:18]([CH2:26][CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[c:19]3[c:20]([cH:22][cH:23][cH:24][cH:25]3)[CH2:21]2)[cH:34][cH:35]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Na+:57]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]2[CH2:16][C:17](=[O:33])[N:18]([CH2:26][CH:27]3[CH2:28][CH2:29][N:30]([CH:37]([CH3:36])[CH3:38])[CH2:31][CH2:32]3)[c:19]3[c:20]([cH:22][cH:23][cH:24][cH:25]3)[CH2:21]2)[cH:34][cH:35]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

9

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 2724942TriacetoxyborohydrideHCID 22632324HCID 22632324, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 22632349HCID 22632349, compound

Sources & evidence

ORD record
ord-cec52338972248fd918051a39b751102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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