반응식
[CH3:26][C:27](=[O:28])[OH:29].[OH2:25].[OH:21][N+:22]([O-:23])=[O:24].[S:1]([C:2]#[N:3])[c:4]1[cH:5][cH:6][c:7]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]2)[cH:19][cH:20]1>>[S:1]([C:2]#[N:3])[c:4]1[cH:5][c:6]([N+:22](=[O:21])[O-:23])[c:7]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]2)[cH:19][cH:20]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-f051f427d1274c528f451d9116b692bb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…