반응식
[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:1][c:2]1[s:3][c:4]([C:8](=[O:9])[OH:10])[c:5]([CH3:7])[n:6]1.[Cl:18][C:19]([O:20][CH2:21][CH2:22][CH2:23][CH3:24])=[O:25].[ClH:26].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[o:27]1[c:28]([CH:32]([C:33]#[N:34])[NH2:35])[cH:29][cH:30][cH:31]1>>[CH3:1][c:2]1[s:3][c:4]([C:8](=[O:10])[NH:35][CH:32]([c:28]2[o:27][cH:31][cH:30][cH:29]2)[C:33]#[N:34])[c:5]([CH3:7])[n:6]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-8963a8f72a6742c1a089f565772fbe9f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…