Ethanol → 3-[1-[[5-Methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-yl]amino]ethylidene]oxolan-2-one

반응식

[C:17]([CH3:18])(=[O:19])[CH:20]1[C:21](=[O:22])[O:23][CH2:24][CH2:25]1.[CH3:26][CH2:27][OH:28].[NH2:1][c:2]1[n:3](-[c:8]2[c:9]([Cl:16])[cH:10][c:11]([Cl:15])[cH:12][c:13]2[Cl:14])[n:4][c:5]([CH3:7])[cH:6]1>>[NH:1]([c:2]1[n:3](-[c:8]2[c:9]([Cl:16])[cH:10][c:11]([Cl:15])[cH:12][c:13]2[Cl:14])[n:4][c:5]([CH3:7])[cH:6]1)[C:17]([CH3:18])=[C:20]1[C:21](=[O:22])[O:23][CH2:24][CH2:25]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 106012-Acetylbutyrolactone

HCID 20600323-Methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-amine

생성물 1

HCID 695835713-[1-[[5-Methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-yl]amino]ethylidene]oxolan-2-one

출처 및 근거

ORD 기록: ord-c24562e8de7e438d937865f8f40add9b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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