Methanol → Trifluoroacetic acid

HRID 1212335Notes

Reaction equation

HRID 1212335 reaction equation
[BH4-:1].[CH3:34][OH:35].[CH3:3][c:4]1[c:5]([N:19]2[C:20](=[O:26])[O:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:6][cH:7][c:8]([N:10]2[C:11](=[O:18])[CH2:12][CH:13]([N+:15]([O-:16])=[O:17])[CH2:14]2)[cH:9]1.[F:27][C:28]([C:29](=[O:30])[OH:31])([F:32])[F:33].[Na+:2].[Ni:42]([Cl:43])[Cl:44].[OH2:36].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH2:41]>>[CH3:3][c:4]1[c:5]([N:19]2[C:20](=[O:26])[O:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:6][cH:7][c:8]([N:10]2[C:11](=[O:18])[CH2:12][CH:13]([NH2:15])[CH2:14]2)[cH:9]1.[F:27][C:28]([C:29](=[O:30])[OH:31])([F:32])[F:33]

Participants

9

Reactant 7

HCID 887MethanolHCID 923Sodium ionHCID 962Water6×HCID 6422Trifluoroacetic acidHCID 24385Nickel DichlorideHCID 28123BorohydrideHCID 86605958HCID 86605958, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 69067982HCID 69067982, compound

Sources & evidence

ORD record
ord-e5ff3f6f9df64f83b1e50be414c1ca97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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