반응식
[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[CH3:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH:20]2[CH2:21][O:22]2)[cH:23][cH:24]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][CH2:12][NH2:13])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][CH2:12][NH:13][CH2:21][CH:20]([c:19]2[cH:18][cH:17][c:16]([O:15][CH3:14])[cH:24][cH:23]2)[OH:22])[cH:6][cH:7][c:8]1[O:9][CH3:10]참가 물질
5
출처 및 근거
- ORD 기록
- ord-d687da3e786742c997cc3b8fc18a081c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…