Aspirin → Acetylsalicylate
반응식
[CH3:17][C:18](=[O:19])[O:20][c:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1[C:27]([OH:28])=[O:29].[CH:30]([Cl:31])([Cl:32])[Cl:33].[OH:1][c:2]1[cH:3][c:4]([NH:13][C:14](=[NH:15])[NH2:16])[cH:5][cH:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12]>>[CH3:17][C:18](=[O:19])[O:20][c:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1[C:27](=[O:28])[O-:29].[OH:1][c:2]1[cH:3][c:4]([NH:13][C:14](=[NH:15])[NH2:16])[cH:5][cH:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12]참가 물질
5
출처 및 근거
- ORD 기록
- ord-d8065526585b4ce6b874c049efbe070d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
불러오는 중…