Acrylonitrile → 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]prop-2-enenitrile
반응식
[Br:5][c:6]1[cH:7][cH:8][c:9]([O:26][CH2:27][CH3:28])[c:10](-[c:12]2[nH:13][c:14](=[O:25])[c:15]3[c:16]([n:17]2)[c:18]([CH2:22][CH2:23][CH3:24])[n:19][n:20]3[CH3:21])[cH:11]1.[CH2:1]=[CH:2][C:3]#[N:4]>>[CH:1](=[CH:2][C:3]#[N:4])[c:6]1[cH:7][cH:8][c:9]([O:26][CH2:27][CH3:28])[c:10](-[c:12]2[nH:13][c:14](=[O:25])[c:15]3[c:16]([n:17]2)[c:18]([CH2:22][CH2:23][CH3:24])[n:19][n:20]3[CH3:21])[cH:11]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-74213e63ce7948138d1cdbfa6aebaf65
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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