1-(3-Isocyanatophenyl)ethan-1-one → 1-(3-acetylphenyl)-3-[3-[6-fluoro-3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea
반응식
[C:24]([CH3:25])(=[O:26])[c:27]1[cH:28][c:29]([N:33]=[C:34]=[O:35])[cH:30][cH:31][cH:32]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:34]([NH:33][c:29]1[cH:28][c:27]([C:24]([CH3:25])=[O:26])[cH:32][cH:31][cH:30]1)=[O:35])[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-1f2e9742281a4b48ab64c9af56a9b781
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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