Hydrochloric Acid → 1,1,1-Trifluoro-3-nitro-2-pentanol

Reaction equation

[CH2:7]([O:8][CH:10]([C:11]([F:12])([F:13])[F:14])[OH:15])[CH3:9].[ClH:22].[K+:16].[K+:17].[N+:1](=[O:2])([O-:3])[CH2:4][CH2:5][CH3:6].[O-:18][C:19]([O-:20])=[O:21]>>[N+:1](=[O:2])([O-:3])[CH:4]([CH2:5][CH3:6])[CH:10]([C:11]([F:12])([F:13])[F:14])[OH:15]

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 813Potassium Cation2×

HCID 79031-Nitropropane

HCID 9897Ethanol, 1-ethoxy-2,2,2-trifluoro-

HCID 19660Carbonate Ion

Product 1

HCID 105837351,1,1-Trifluoro-3-nitro-2-pentanol

Sources & evidence

ORD record: ord-21879cca882a46888420f277340750be
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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