반응식
[CH3:11][O:12][c:13]1[c:14]([CH:15]=[O:16])[cH:17][c:18]([O:23][CH3:24])[c:19]([O:21][CH3:22])[cH:20]1.[CH3:27][CH2:28][OH:29].[Cl:1][c:2]1[cH:3][c:4]([CH2:8][C:9]#[N:10])[cH:5][cH:6][cH:7]1.[Na+:26].[OH-:25]>>[Cl:1][c:2]1[cH:3][c:4]([C:8]([C:9]#[N:10])=[CH:15][c:14]2[c:13]([O:12][CH3:11])[cH:20][c:19]([O:21][CH3:22])[c:18]([O:23][CH3:24])[cH:17]2)[cH:5][cH:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-199ad5f37fbe4717b7c2c41943df838a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…