Calcium Cation → 2,3-Difluoro-6-nitrophenol

HRID 114244

Reaction equation

HRID 114244 reaction equation
[Ca+2:14].[F:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8].[OH-:13].[OH-:15].[OH2:21].[S:16]([OH:17])(=[O:18])(=[O:19])[OH:20]>>[c:2]1([OH:17])[c:3]([N+:10](=[O:11])[O-:12])[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8]

Participants

6

Reactant 5

HCID 271Calcium CationHCID 961Hydroxide2×HCID 962WaterHCID 1118Sulfuric AcidHCID 698711,2,3-Trifluoro-4-nitrobenzene

Product 1

HCID 27337452,3-Difluoro-6-nitrophenol

Sources & evidence

ORD record
ord-99c2ae96e7114f58b75ae25ddd792505
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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