Calcium Cation → 2,3,4,5-Tetrafluorobenzoic acid

HRID 179381

Reaction equation

[Ca+2:18].[F:1][c:2]1[c:3]([F:16])[c:4]([F:15])[c:5]([F:14])[c:6]([C:11]([OH:12])=[O:13])[c:7]1[C:8](=[O:9])[OH:10].[OH-:17].[OH-:19].[OH2:20]>>[F:1][c:2]1[c:3]([F:16])[c:4]([F:15])[c:5]([F:14])[cH:6][c:7]1[C:8](=[O:9])[OH:10]

Participants

Reactant 4

HCID 271Calcium Cation

HCID 961Hydroxide2×

HCID 962Water

HCID 695443,4,5,6-Tetrafluorophthalic acid

Product 1

HCID 2975492,3,4,5-Tetrafluorobenzoic acid

Sources & evidence

ORD record: ord-7abe95d8fcae40f7ba71d1ee3c9e25ae
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Linked notes

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