3-(2-Chlorophenyl)acrylic acid → 3-(2-chlorophenyl)-N-[1-(5,5-difluorohexyl)pyrazol-3-yl]prop-2-enamide
반응식
[Cl:15][c:16]1[c:17]([CH:22]=[CH:23][C:24](=[O:25])[OH:26])[cH:18][cH:19][cH:20][cH:21]1.[F:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[n:8][c:9]([NH2:12])[cH:10][cH:11]1)([CH3:13])[F:14]>>[F:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[n:8][c:9]([NH:12][C:24]([CH:23]=[CH:22][c:17]2[c:16]([Cl:15])[cH:21][cH:20][cH:19][cH:18]2)=[O:25])[cH:10][cH:11]1)([CH3:13])[F:14]참가 물질
3
출처 및 근거
- ORD 기록
- ord-4c068a0878eb442c81e286528a02c96f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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