Dichloromethane → 1-(5-fluoro-4-isothiocyanato-2-methoxyphenyl)-3-methyl-1H-1,2,4-triazole

Reaction equation

[C:17](=[S:18])([n:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1=[O:25])[n:26]1[cH:27][cH:28][cH:29][cH:30][c:31]1=[O:32].[Cl:33][CH2:34][Cl:35].[F:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([O:15][CH3:16])[c:7](-[n:9]2[n:10][c:11]([CH3:14])[n:12][cH:13]2)[cH:8]1>>[F:1][c:2]1[c:3]([N:4]=[C:17]=[S:18])[cH:5][c:6]([O:15][CH3:16])[c:7](-[n:9]2[n:10][c:11]([CH3:14])[n:12][cH:13]2)[cH:8]1

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 8531621,1'-Thiocarbonyldi-2(1H)-pyridone

HCID 580756292-fluoro-5-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)aniline

Product 1

HCID 866498891-(5-fluoro-4-isothiocyanato-2-methoxyphenyl)-3-methyl-1H-1,2,4-triazole

Sources & evidence

ORD record: ord-7343f6bcf7be41edaec41b3fbdbe4f58
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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