Potassium Cation → 2-(3-methyl-1H-1,2,4-triazol-1-yl)-5-nitrobenzonitrile

HRID 137412

Reaction equation

HRID 137412 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH3:1][c:2]1[n:3][nH:4][cH:5][n:6]1.[CH3:26][C:27]#[N:28].[Cl:7][c:8]1[c:9]([C:10]#[N:11])[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1.[K+:23].[K+:24].[OH2:25]>>[CH3:1][c:2]1[n:3][n:4](-[c:8]2[c:9]([C:10]#[N:11])[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]2)[cH:5][n:6]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 855042-Chloro-5-nitrobenzonitrileHCID 178433329HCID 178433329, compound

Product 1

HCID 668583402-(3-methyl-1H-1,2,4-triazol-1-yl)-5-nitrobenzonitrile

Sources & evidence

ORD record
ord-6d59bfef0b7349cfb56685ca112892c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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