반응식
[CH3:11][C:12]([CH3:13])=[O:14].[CH3:1][c:2]1[c:3]([CH:4]=[O:5])[c:6]([CH3:10])[cH:7][cH:8][cH:9]1.[Ca+2:16].[OH-:15].[OH-:17].[OH2:18]>>[CH3:1][c:2]1[c:3]([CH:4]=[CH:11][C:12]([CH3:13])=[O:14])[c:6]([CH3:10])[cH:7][cH:8][cH:9]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-a08fd1b71d6342e0aa175c80863db6e2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…