반응식
[CH3:1][O:2][c:3]1[c:4]([NH:16][c:17]2[n:18][n:19]3[c:20]([cH:21][n:22]2)[cH:23][cH:24][c:25]3-[c:26]2[c:27]([N:32]([S:33](=[O:34])(=[O:35])[CH3:36])[CH3:37])[cH:28][cH:29][cH:30][cH:31]2)[cH:5][cH:6][c:7]([CH2:9][N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:8]1.[CH3:38][O:39][CH2:40][CH:41]1[O:42][CH2:43]1.[CH3:44][OH:45]>>[CH3:1][O:2][c:3]1[c:4]([NH:16][c:17]2[n:18][n:19]3[c:20]([cH:21][n:22]2)[cH:23][cH:24][c:25]3-[c:26]2[c:27]([N:32]([S:33](=[O:34])(=[O:35])[CH3:36])[CH3:37])[cH:28][cH:29][cH:30][cH:31]2)[cH:5][cH:6][c:7]([CH2:9][N:10]2[CH2:11][CH2:12][N:13]([CH2:43][CH:41]([CH2:40][O:39][CH3:38])[OH:42])[CH2:14][CH2:15]2)[cH:8]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-4c5e3284b46c48f88110872ea5f21dfe
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…