반응식
[CH3:18][O:19][c:20]1[cH:21][cH:22][cH:23][c:24]([OH:25])[cH:26]1.[Cl:1][c:2]1[n:3][cH:4][n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[cH:7]1.[H-:28].[Na+:27].[O:29]=[CH:30][N:31]([CH3:32])[CH3:33]>>[c:2]1([O:25][c:24]2[cH:23][cH:22][cH:21][c:20]([O:19][CH3:18])[cH:26]2)[n:3][cH:4][n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-24ba212f8a604493962703f3e65428e6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…