p-(Trifluoromethoxy)phenyl isocyanate → ethyl N-{[p-(trifluoromethoxy)-phenyl]carbamoyl}-5,7-dihydro-6H-dibenz[c,e]azepine-6-carboximidate
반응식
[F:21][C:22]([O:23][c:24]1[cH:25][cH:26][c:27]([N:30]=[C:31]=[O:32])[cH:28][cH:29]1)([F:33])[F:34].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[c:9]([cH:15][cH:14][cH:13][cH:12]1)[CH2:8][N:7]([C:16]([O:17][CH2:18][CH3:19])=[NH:20])[CH2:6]2>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[c:9]([cH:15][cH:14][cH:13][cH:12]1)[CH2:8][N:7]([C:16]([O:17][CH2:18][CH3:19])=[N:20][C:31]([NH:30][c:27]1[cH:26][cH:25][c:24]([O:23][C:22]([F:21])([F:33])[F:34])[cH:29][cH:28]1)=[O:32])[CH2:6]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-0c514af6dc7c44d69aa63d89cef91db4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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