Sodium ion → 5-Hydroxy-2-methylbenzonitrile

HRID 213451Notes

Reaction equation

HRID 213451 reaction equation
[N:16](=[O:17])[O-:18].[NH2:20][C:21](=[O:22])[NH2:23].[NH2:6][c:7]1[cH:8][cH:9][c:10]([CH3:15])[c:11]([C:12]#[N:13])[cH:14]1.[Na+:19].[Na+:24].[Na+:25].[O-:26][S:27](=[O:28])(=[O:29])[O-:30].[OH2:31].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[c:7]1([OH:17])[cH:8][cH:9][c:10]([CH3:15])[c:11]([C:12]#[N:13])[cH:14]1

Participants

8

Reactant 7

HCID 923Sodium ion3×HCID 946NitriteHCID 962WaterHCID 1117Sulfate IonHCID 1118Sulfuric AcidHCID 1176UreaHCID 27353655-Amino-2-methylbenzonitrile

Product 1

HCID 594440865-Hydroxy-2-methylbenzonitrile

Sources & evidence

ORD record
ord-95bc4bc4330b41b6a93886b84d48f947
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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