Acetic Acid → 2,6-Difluoro-4-iodobenzonitrile

HRID 90990

Reaction equation

HRID 90990 reaction equation
[C:18](=[O:19])([OH:20])[O-:21].[CH3:48][C:49](=[O:50])[OH:51].[Cu+2:41].[F:5][c:6]1[c:7]([NH2:8])[c:9]([F:14])[cH:10][c:11]([I:13])[cH:12]1.[K:15][C:16]#[N:17].[N:1]([O-:2])=[O:3].[Na+:22].[Na+:24].[Na+:4].[OH-:23].[OH2:30].[OH2:31].[OH2:32].[OH2:33].[OH2:34].[OH2:35].[S:25](=[O:26])(=[O:27])([OH:28])[OH:29].[S:36]([O-:37])([O-:38])(=[O:39])=[O:40].[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[F:5][c:6]1[c:7]([C:16]#[N:17])[c:9]([F:14])[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 2789432,6-Difluoro-4-iodoanilineHCID 178511842HCID 178511842, compound

Product 1

HCID 190230682,6-Difluoro-4-iodobenzonitrile

Sources & evidence

ORD record
ord-92b66fb5d522465a88c5d689f813fae3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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