1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanone → methyl 4-[(2-{1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]-2-nitrobenzoate

반응식

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

참가 물질

반응물 2

HCID 602067801-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanone

HCID 669863564-Methoxycarbonyl-3-nitrobenzhydrazide

생성물 1

HCID 72360099methyl 4-[(2-{1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]-2-nitrobenzoate

출처 및 근거

ORD 기록: ord-8aaf7ab8ef474652a895fdc0e7986ac3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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