반응식
[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([C:9]2([c:22]3[cH:23][cH:24][c:25]([N:28]([CH3:29])[CH3:30])[cH:26][cH:27]3)[O:10][C:11](=[O:12])[c:13]3[cH:14][c:15]([N:19]([CH3:20])[CH3:21])[cH:16][cH:17][c:18]32)[cH:7][cH:8]1)[CH3:31].[CH3:32][c:33]1[c:34]([NH2:35])[c:36]([CH3:37])[c:38]([CH3:39])[c:40]([C:42]([CH3:43])([OH:44])[c:45]2[cH:46][cH:47][c:48]([NH2:49])[cH:50][cH:51]2)[cH:41]1.[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][c:57]([C:61]([OH:62])=[O:63])[cH:58][cH:59][cH:60]1.[S:64](=[O:65])(=[O:66])([OH:67])[OH:68]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]([c:18]2[c:13]([C:11](=[O:10])[OH:12])[cH:14][c:15]([N:19]([CH3:20])[CH3:21])[cH:16][cH:17]2)[c:22]2[cH:23][cH:24][c:25]([N:28]([CH3:29])[CH3:30])[cH:26][cH:27]2)[cH:7][cH:8]1)[CH3:31]참가 물질
5
출처 및 근거
- ORD 기록
- ord-2fafd97d4dda483fab02179058de5393
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…