3-Ethylphenyl isocyanate → 1-(3-ethyl phenyl)-3-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea
반응식
[CH2:23]([CH3:24])[c:25]1[cH:26][c:27]([N:31]=[C:32]=[O:33])[cH:28][cH:29][cH:30]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][CH2:19][NH2:20])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:21][cH:22]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:17][CH2:18][CH2:19][NH:20][C:32]([NH:31][c:27]3[cH:26][c:25]([CH2:23][CH3:24])[cH:30][cH:29][cH:28]3)=[O:33])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16]2)[cH:21][cH:22]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-cb2f895ea7984a96b3358fa35e56dee1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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