반응식
[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:17][c:18]1[c:19]([C:20](=[O:21])[Cl:22])[cH:23][cH:24][c:25]([CH3:27])[cH:26]1.[CH3:1][n:2]1[c:3]([CH2:7][c:8]2[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[cH:4][cH:5][cH:6]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52]>>[CH3:1][n:2]1[c:3]([CH2:7][c:8]2[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[cH:4][cH:5][c:6]1[C:20]([c:19]1[c:18]([CH3:17])[cH:26][c:25]([CH3:27])[cH:24][cH:23]1)=[O:21]참가 물질
6
출처 및 근거
- ORD 기록
- ord-92165e6360d040b4a3e53c956659e193
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…