1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)- → {4-[Benzyl-(2-dimethylamino-ethyl)-carbamoyl]-6,8-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[n:11][cH:12][c:13]([C:24](=[O:25])[OH:26])[c:14]2[cH:15][c:16]([O:22][CH3:23])[cH:17][c:18]([O:20][CH3:21])[c:19]12.[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[NH:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[n:11][cH:12][c:13]([C:24](=[O:25])[N:34]([CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:35][CH2:36][N:37]([CH3:38])[CH3:39])[c:14]2[cH:15][c:16]([O:22][CH3:23])[cH:17][c:18]([O:20][CH3:21])[c:19]12참가 물질
3
출처 및 근거
- ORD 기록
- ord-9e6fe1bc3c374a64a3061b6bdc65af57
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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