Ammonium → 2-Methyl-3,4,6-trifluorobenzonitrile

HRID 1215683

Reaction equation

HRID 1215683 reaction equation
[CH3:1][c:2]1[c:3]([NH2:4])[c:5]([F:11])[cH:6][c:7]([F:10])[c:8]1[F:9].[K:21][C:22]#[N:23].[N:17]([O-:18])=[O:19].[NH4+:24].[Na+:20].[OH-:25].[OH2:26].[S:12](=[O:13])(=[O:14])([OH:15])[OH:16]>>[CH3:1][c:2]1[c:3]([C:22]#[N:23])[c:5]([F:11])[cH:6][c:7]([F:10])[c:8]1[F:9]

Participants

9

Reactant 8

HCID 223AmmoniumHCID 923Sodium ionHCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 226251783,4,6-Trifluoro-2-methylanilineHCID 178511842HCID 178511842, compound

Product 1

HCID 226251752-Methyl-3,4,6-trifluorobenzonitrile

Sources & evidence

ORD record
ord-dc2b1c41364a4bb59cf6a39ff3c5c759
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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