Bicarbonate Ion → 2-Chloro-4-(trifluoromethyl)benzonitrile

HRID 1115842Notes

Reaction equation

HRID 1115842 reaction equation
[Cl:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1.[Cu:20]([C:21]#[N:22])[C:23]#[N:24].[N:13]([O-:14])=[O:15].[Na+:16].[Na+:25].[Na:17][C:18]#[N:19].[Ni+2:42].[OH2:35].[OH2:36].[OH:26][C:27](=[O:28])[O-:29].[S:30](=[O:31])(=[O:32])([OH:33])[OH:34].[S:37]([O-:38])([O-:39])(=[O:40])=[O:41]>>[Cl:1][c:2]1[c:3]([C:18]#[N:19])[cH:5][cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 934Nickel cationHCID 946NitriteHCID 962Water2×HCID 1117Sulfate IonHCID 1118Sulfuric AcidHCID 1620012-Chloro-4-trifluoromethylanilineHCID 178418260HCID 178418260, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 27364762-Chloro-4-(trifluoromethyl)benzonitrile

Sources & evidence

ORD record
ord-dea90f590dc34480aff221017c23524e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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