1-Ethoxy-3-isocyanatobenzene → 1-(3-ethoxy phenyl)-3-[3-[6-fluoro-3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea
반응식
[CH2:24]([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]([O:26][CH2:24][CH3:25])[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-aecfb3a3ba294e549f85d26258fed3fb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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