반응식
[Na+:31].[OH-:30].[OH2:32].[S:25]([OH:26])(=[O:27])(=[O:28])[OH:29].[n:1]1[c:2]([S:7][c:8]2[cH:9][c:10]([O:16][c:17]3[c:18]([CH3:24])[n:19][n:20]([CH3:23])[c:21]3[CH3:22])[c:11]([C:14]#[N:15])[n:12][cH:13]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([S:7][c:8]2[cH:9][c:10]([O:16][c:17]3[c:18]([CH3:24])[n:19][n:20]([CH3:23])[c:21]3[CH3:22])[c:11]([C:14]([NH2:15])=[O:26])[n:12][cH:13]2)[cH:3][cH:4][cH:5][cH:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-8c817bcd60f34d2c867174a7db056f62
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…