Ethanol → methyl 3-[7-[3-(dimethylamino)propyl]-1-oxoisoquinolin-2(1H)-yl]-4-methylbenzoate
반응식
[CH3:1][N:2]([CH2:3][C:4]#[C:5][c:6]1[cH:7][cH:8][c:9]2[cH:10][cH:11][n:12](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24][cH:25][c:26]3[CH3:27])[c:13](=[O:16])[c:14]2[cH:15]1)[CH3:28].[CH3:31][CH2:32][OH:33].[H:29][H:30]>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]2[cH:10][cH:11][n:12](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24][cH:25][c:26]3[CH3:27])[c:13](=[O:16])[c:14]2[cH:15]1)[CH3:28]참가 물질
4
출처 및 근거
- ORD 기록
- ord-4eca4b4cdc5c463d8a2e69b91b2262c6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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