반응식
[Br:2][c:3]1[cH:4][c:5]([CH2:9][NH2:10])[cH:6][cH:7][cH:8]1.[CH2:14]([CH3:15])[O:16][CH:17]([C:18]([O:19][CH3:20])=[NH:21])[O:22][CH2:23][CH3:24].[CH3:11][O-:12].[CH3:25][OH:26].[ClH:1].[Na+:13]>>[Br:2][c:3]1[cH:4][c:5]([CH2:9][NH:10][C:18]([CH:17]([O:16][CH2:14][CH3:15])[O:22][CH2:23][CH3:24])=[NH:21])[cH:6][cH:7][cH:8]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-d32ac0433226490e9ceb64683367c066
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
연결된 노트
불러오는 중…