Acetone → 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-

Reaction equation

[CH3:1][n:2]1[c:3](=[S:17])[nH:4][n:5][c:6]1-[c:7]1[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16]1.[CH3:24][I:25].[CH3:26][C:27](=[O:28])[CH3:29].[K+:18].[K+:19].[O-:20][C:21]([O-:22])=[O:23]>>[CH3:1][n:2]1[c:3]([S:17][CH3:21])[n:4][n:5][c:6]1-[c:7]1[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16]1

Participants

Reactant 5

HCID 180Acetone

HCID 813Potassium Cation2×

HCID 6328Methyl iodide

HCID 19660Carbonate Ion

HCID 10243410HCID 10243410, compound

Product 1

HCID 30879994H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-naphthalenyl)-

Sources & evidence

ORD record: ord-50c705eb5169445ebc9951934b772331
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…