Acetic Acid → 1-[4-(2-Chloro-3-fluoro-pyridin-4-ylmethyl)-piperazin-1-yl]-ethanone
반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1.[C:20]([OH:21])(=[O:22])[CH3:23].[Cl:10][c:11]1[n:12][cH:13][cH:14][c:15]([CH:18]=[O:19])[c:16]1[F:17]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([CH2:18][c:15]2[cH:14][cH:13][n:12][c:11]([Cl:10])[c:16]2[F:17])[CH2:8][CH2:9]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-33e20e60b5cc40cd926b91f6180a21ee
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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