Acetic Acid → 2-Fluoro-4-iodobenzonitrile

HRID 165911

Reaction equation

HRID 165911 reaction equation
[C:17](=[O:18])([OH:19])[O-:20].[CH3:47][C:48](=[O:49])[OH:50].[Cu+2:40].[F:5][c:6]1[c:7]([NH2:8])[cH:9][cH:10][c:11]([I:13])[cH:12]1.[K:14][C:15]#[N:16].[N:1]([O-:2])=[O:3].[Na+:21].[Na+:23].[Na+:4].[OH-:22].[OH2:29].[OH2:30].[OH2:31].[OH2:32].[OH2:33].[OH2:34].[S:24](=[O:25])(=[O:26])([OH:27])[OH:28].[S:35]([O-:36])([O-:37])(=[O:38])=[O:39].[cH:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[F:5][c:6]1[c:7]([C:15]#[N:16])[cH:9][cH:10][c:11]([I:13])[cH:12]1

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 946NitriteHCID 961HydroxideHCID 962Water6×HCID 1117Sulfate IonHCID 1118Sulfuric AcidHCID 27099Cupric cationHCID 1856942-Fluoro-4-iodoanilineHCID 178511842HCID 178511842, compound

Product 1

HCID 27745182-Fluoro-4-iodobenzonitrile

Sources & evidence

ORD record
ord-dab6ac5b869047a7871a1720f3b4fbc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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