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Potassium Cation → 3-Cyanomethyl-4-iodo-benzonitrile

HRID 108343
Notes
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Reaction equation

HRID 108343 reaction equation
[I-:18].[K+:17].[N:1]([O-:2])=[O:3].[NH2:5][c:6]1[c:7]([CH2:14][C:15]#[N:16])[cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1.[Na+:24].[Na+:25].[Na+:4].[OH2:26].[S:19]([O-:20])([O-:21])(=[O:22])=[S:23].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31]>>[c:6]1([I:18])[c:7]([CH2:14][C:15]#[N:16])[cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium Ion3×HCID 946NitriteHCID 962WaterHCID 1084Thiosulfate ionHCID 1118Sulfuric AcidHCID 30165Iodide IonHCID 574685124-Amino-3-cyanomethyl-benzonitrile

Product 1

HCID 574685113-Cyanomethyl-4-iodo-benzonitrile

Sources & evidence

ORD record
ord-6c9a222fac064cd9924e7eafd71b72e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes