3-(2,3-dichlorophenyl)prop-2-enoic Acid → 3-(2,3-dichlorophenyl)-N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-3-yl]prop-2-enamide

반응식

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

참가 물질

반응물 2

HCID 27347623-(2,3-dichlorophenyl)prop-2-enoic Acid

HCID 669293691-[5-(1,1-Difluoro-ethyl)-furan-2-ylmethyl]-1H-pyrazol-3-ylamine

생성물 1

HCID 669285333-(2,3-dichlorophenyl)-N-[1-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]pyrazol-3-yl]prop-2-enamide

출처 및 근거

ORD 기록: ord-e0e0b1e0e0a54abfbdb1346db0463f7c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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