Diethylene Glycol Monoethyl Ether → {-[2-(2-ethoxy-ethoxy)-ethoxy]-isoquinolin-3-yl}-(5-methyl-1H-pyrazol-3-yl)-amine
반응식
[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][O:6][CH2:7][CH2:8][OH:9].[Cl:10][c:11]1[n:12][c:13]([NH:21][c:22]2[n:23][nH:24][c:25]([CH3:27])[cH:26]2)[cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][O:6][CH2:7][CH2:8][O:9][c:11]1[n:12][c:13]([NH:21][c:22]2[n:23][nH:24][c:25]([CH3:27])[cH:26]2)[cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12참가 물질
3
출처 및 근거
- ORD 기록
- ord-3cecda7ef5aa4784a43062ad4baeb983
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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