Sodium Ion → 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene

Reaction equation

[Cl:1][c:2]1[c:3]([C:9]([F:10])([F:11])[F:12])[cH:4][c:5]([NH2:8])[cH:6][cH:7]1.[F:18][B-:19]([F:20])([F:21])[F:22].[H+:17].[N:13]([O-:14])=[O:15].[Na+:16].[OH2:23]>>[Cl:1][c:2]1[c:3]([C:9]([F:10])([F:11])[F:12])[cH:4][c:5]([F:18])[cH:6][cH:7]1

Participants

Reactant 6

HCID 923Sodium Ion

HCID 946Nitrite

HCID 962Water

HCID 1038Hydrogen cation

HCID 26255Tetrafluoroborate

HCID 675744-Chloro-3-(trifluoromethyl)aniline

Product 1

HCID 136091451-Chloro-4-fluoro-2-(trifluoromethyl)benzene

Sources & evidence

ORD record: ord-b26f098717574bd3bd39409a5553f601
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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