반응식
[CH3:40][C:41]([O:42][C:43]([CH3:44])=[O:45])=[O:46].[CH3:5][c:6]1[s:7][c:8](-[c:12]2[n:13][c:14]([NH:18][c:19]3[cH:20][cH:21][c:22]([N:25]([CH3:26])[CH3:27])[cH:23][cH:24]3)[n:15][cH:16][cH:17]2)[c:9]([CH3:11])[n:10]1.[N+:28]([O-:29])([O:30][C:31](=[O:32])[CH3:33])=[O:34].[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[OH:1][N+:2]([O-:3])=[O:4]>>[O-:1][N+:2](=[O:4])[c:21]1[cH:20][c:19]([NH:18][c:14]2[n:13][c:12](-[c:8]3[s:7][c:6]([CH3:5])[n:10][c:9]3[CH3:11])[cH:17][cH:16][n:15]2)[cH:24][cH:23][c:22]1[N:25]([CH3:26])[CH3:27]참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-77aba6192e664b01a41e8c4b300c52ba
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
연결된 노트
불러오는 중…