반응식
[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][C:12]#[N:13])[cH:14][cH:15]1.[F:16][C:17]([c:18]1[c:19]([C:20](=[O:21])[Cl:22])[cH:23][cH:24][cH:25][cH:26]1)([F:27])[F:28].[H-:1].[Na+:2].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([C:11]([C:12]#[N:13])=[C:20]([c:19]2[c:18]([C:17]([F:16])([F:27])[F:28])[cH:26][cH:25][cH:24][cH:23]2)[OH:21])[cH:14][cH:15]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-80c45178321d4c51b7e6f89f60084b16
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…