반응식
[C:14]([OH:15])(=[O:16])[CH3:17].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][C:9]#[N:10])[cH:11][cH:12]1.[OH2:13].[cH:18]1[cH:19][cH:20][n:21][cH:22][cH:23]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][CH:9]=[O:16])[cH:11][cH:12]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-63c84065547a403e977de8408b51a483
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…