Chloride → 1,1,1-Trifluoro-2-methyl-3-nitropropan-2-ol

HRID 669695Notes

Reaction equation

HRID 669695 reaction equation
[CH3:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][N+:37]([CH3:38])([CH3:39])[CH3:40].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[Cl-:20].[F:7][C:8]([C:9]([CH3:10])=[O:11])([F:12])[F:13].[Li+:2].[Mg+2:14].[N+:3](=[O:4])([O-:5])[CH3:6].[O-:15][S:16]([O-:17])(=[O:18])=[O:19].[OH-:1].[OH2:46]>>[N+:3](=[O:4])([O-:5])[CH2:6][C:9]([C:8]([F:7])([F:12])[F:13])([CH3:10])[OH:11]

Participants

11

Reactant 10

HCID 312ChlorideHCID 888Magnesium CationHCID 961HydroxideHCID 962WaterHCID 1117Sulfate IonHCID 2681CetyltrimethylammoniumHCID 3283Diethyl EtherHCID 6375NitromethaneHCID 9871Methyl trifluoromethyl ketoneHCID 28486Lithium ion

Product 1

HCID 136207581,1,1-Trifluoro-2-methyl-3-nitropropan-2-ol

Sources & evidence

ORD record
ord-3f9194eb53be4489a1d15f90f4e50d2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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