Acetic Acid → Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-

HRID 688141Notes

Reaction equation

HRID 688141 reaction equation
[C-:30]#[N:31].[CH3:36][C:37](=[O:38])[OH:39].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([NH2:16])[cH:8][c:9]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:10][cH:11]2)[cH:17][cH:18][c:19]1[Cl:20].[N:26]([O-:27])=[O:28].[Na+:29].[Na:32][C:33]#[N:34].[OH2:35].[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([C:33]#[N:34])[cH:8][c:9]([S:12](=[O:13])(=[O:14])[CH3:15])[cH:10][cH:11]2)[cH:17][cH:18][c:19]1[Cl:20]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 5975CyanideHCID 514872Benzenamine, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-HCID 178511850HCID 178511850, compound

Product 1

HCID 514868Benzonitrile, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-

Sources & evidence

ORD record
ord-bd041745e27d40baab0ee03bb5d0b47e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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