반응식
[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18]([O:19][CH2:20][CH2:21][OH:22])[cH:23][cH:24]1.[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6]([Cl:10])[c:7]1[O:8][CH3:9].[CH3:29][S:30]([CH3:31])=[O:32].[Cl-:27].[H-:26].[NH4+:28].[Na+:25]>>[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:22][CH2:21][CH2:20][O:19][c:18]2[cH:17][cH:16][c:15]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:24][cH:23]2)[c:7]1[O:8][CH3:9]참가 물질
8
출처 및 근거
- ORD 기록
- ord-e883ea2917f9454d965e36ec62915a53
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…