반응식
[CH3:29][O:30][CH2:31][CH2:32][O:33][CH3:34].[NH2:1][c:2]1[n:3][c:4]([S:15]([CH3:16])(=[O:17])=[O:18])[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1.[c:19]1([NH:25][CH2:26][CH2:27][NH2:28])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[NH2:1][c:2]1[n:3][c:4]([NH:28][CH2:27][CH2:26][NH:25][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-502dc202d444448b863dd06ee9529bc8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…