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

HRID 1228964

Reaction equation

HRID 1228964 reaction equation
[C:24]([OH:25])([CH3:26])([CH3:27])[CH3:28].[CH3:29][C:30](=[CH:31][CH3:32])[CH3:33].[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].[OH2:34]>>[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

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 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-63ece4b9881d4b2aacda70eb6931affc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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