Ethanol → 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid

HRID 699010

Reaction equation

HRID 699010 reaction equation
[CH3:19][CH2:20][OH:21].[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([c:7]1[cH:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]1)[F:15].[K+:17].[OH-:16].[OH2:18]>>[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([c:7]1[cH:8][cH:9][c:10]([C:11](=[O:16])[OH:18])[cH:13][cH:14]1)[F:15]

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 147741854-(Pentafluoroethyl)benzonitrile

Product 1

HCID 230678834-(1,1,2,2,2-Pentafluoroethyl)benzoic acid

Sources & evidence

ORD record
ord-3188d35b73584138b767f971405d5155
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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