Sodium ion → 2-Cyclopropyl-4,6-bis-trifluoromethyl-benzoic acid

HRID 316196

Reaction equation

HRID 316196 reaction equation
[C:30]([OH:31])([CH3:32])([CH3:33])[CH3:34].[CH3:35][C:36](=[CH:37][CH3:38])[CH3:39].[CH:1]1([c:4]2[c:5]([CH:6]=[O:7])[c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]2)[CH2:2][CH2:3]1.[Cl+:20]([O-:21])[O-:22].[Na+:23].[Na+:24].[OH2:40].[OH:25][P:26](=[O:27])([O-:28])[OH:29]>>[CH:1]1([c:4]2[c:5]([C:6](=[O:7])[OH:21])[c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 581677622-Cyclopropyl-4,6-bis-trifluoromethyl-benzaldehyde

Product 1

HCID 581677652-Cyclopropyl-4,6-bis-trifluoromethyl-benzoic acid

Sources & evidence

ORD record
ord-92a3301e99d8482f9880d85d2e02942c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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