반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([CH:9]([O:10][CH2:11][CH3:12])[O:13][CH2:14][CH3:15])[NH2:16])=[O:17].[CH2:18]([N:19]1[CH2:20][CH2:21][O:22][CH2:23][CH2:24]1)[CH3:25].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][c:43]1[c:44]([S:52](=[O:53])(=[O:54])[Cl:55])[cH:45][cH:46][c:47]([N+:49](=[O:50])[O-:51])[cH:48]1.[CH3:26][N:27]([CH3:28])[N:29]1[CH:30]=[CH:31][CH:32]=[CH:33][CH2:34]1.[Cl:56][CH2:57][Cl:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([CH:9]([O:10][CH2:11][CH3:12])[O:13][CH2:14][CH3:15])[NH:16][S:52]([c:44]1[c:43]([O:42][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:48][c:47]([N+:49](=[O:50])[O-:51])[cH:46][cH:45]1)(=[O:53])=[O:54])=[O:17]참가 물질
6
출처 및 근거
- ORD 기록
- ord-5ebd601df696464589439a8654fc02b3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…