Acetonitrile → 1-(2,4-Dichlorophenoxy)-3,3-dimethyl-4-fluoro-1-(1,2,4-triazol-1-yl)-2-butanone

반응식

[Br:1][CH:2]([C:3]([C:4]([CH2:5][F:6])([CH3:7])[CH3:8])=[O:9])[O:10][c:11]1[c:12]([Cl:18])[cH:13][c:14]([Cl:17])[cH:15][cH:16]1.[CH3:24][C:25]#[N:26].[nH:19]1[n:20][cH:21][n:22][cH:23]1>>[CH:2]([C:3]([C:4]([CH2:5][F:6])([CH3:7])[CH3:8])=[O:9])([O:10][c:11]1[c:12]([Cl:18])[cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[n:19]1[n:20][cH:21][n:22][cH:23]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 92571H-1,2,4-Triazole

HCID 130194441-Bromo-1-(2,4-dichlorophenoxy)-3,3-dimethyl-4-fluoro-2-butanone

생성물 1

HCID 128998841-(2,4-Dichlorophenoxy)-3,3-dimethyl-4-fluoro-1-(1,2,4-triazol-1-yl)-2-butanone

출처 및 근거

ORD 기록: ord-0959e4246f2c44119f6696ab0628354a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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