반응식
[C:15]([O-:16])(=[O:17])[CH3:18].[CH3:20][c:21]1[c:22]([CH2:23][Cl:24])[cH:25][c:26]([CH3:29])[cH:27][cH:28]1.[CH3:31][C:32]#[N:33].[ClH:30].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]([S:8]([OH:9])(=[O:10])=[O:11])[cH:7]1.[Na+:19].[OH2:12].[OH2:13].[OH2:14].[OH2:34]>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]([S:8]([OH:9])(=[O:10])=[O:11])[cH:7]1)[CH2:23][c:22]1[c:21]([CH3:20])[cH:28][cH:27][c:26]([CH3:29])[cH:25]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-fbb47c4faca84c0098258bbff20846c9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…