Ethanol → 4-methyl-3-[2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2-oxo-ethylamino]-benzoic acid methyl ester

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 337778Methyl 3-amino-4-methylbenzoate

HCID 27764392-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one

생성물 1

HCID 588612934-methyl-3-[2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2-oxo-ethylamino]-benzoic acid methyl ester

출처 및 근거

ORD 기록: ord-2412d128814e40428c993f6e7dbd7138
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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