반응식
[CH3:11][N:12]1[CH2:13][CH2:14][CH2:15][C:16]1=[O:17].[CH3:27][CH2:28][O:29][C:30]([CH3:31])=[O:32].[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([Cl:10])[n:9]1.[F:18][c:19]1[cH:20][c:21]([CH2:25][NH2:26])[cH:22][cH:23][cH:24]1>>[c:2]1([NH:26][CH2:25][c:21]2[cH:20][c:19]([F:18])[cH:24][cH:23][cH:22]2)[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([Cl:10])[n:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-e229a38737f44f4f9576132684ef12cb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…