1-Isocyanato-3,5-dimethoxybenzene → 1-(3,5-dimethoxyphenyl)-3-[3-[6-fluoro-3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea
반응식
[CH3:24][O:25][c:26]1[cH:27][c:28]([N:34]=[C:35]=[O:36])[cH:29][c:30]([O:32][CH3:33])[cH:31]1.[F:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([CH2:12][CH2:13][CH2:14][NH2:15])[CH:6]([CH2:16][c:17]1[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]1)[CH2:5]2>>[F:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([CH2:12][CH2:13][CH2:14][NH:15][C:35]([NH:34][c:28]1[cH:27][c:26]([O:25][CH3:24])[cH:31][c:30]([O:32][CH3:33])[cH:29]1)=[O:36])[CH:6]([CH2:16][c:17]1[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]1)[CH2:5]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-654b320cc99544859d1814c1282ed783
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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