Acetic Acid → Trifluoroacetic acid

HRID 147676Notes

Reaction equation

HRID 147676 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:36][C:37](=[O:38])[OH:39].[Cl:54][CH2:55][Cl:56].[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+:53]>>[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]([CH3:36])[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

8

Reactant 6

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

Product 2

HCID 6422Trifluoroacetic acidHCID 22632642HCID 22632642, compound

Sources & evidence

ORD record
ord-03856f8f864d41f78d4ce186f74371e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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