반응식
[CH3:11][O:12][c:13]1[c:14]([CH:15]=[N+:16]([CH3:17])[CH3:18])[cH:19][cH:20][cH:21][cH:22]1.[Cl-:10].[n:1]1([CH2:6][CH2:7][C:8]#[N:9])[cH:2][cH:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH2:7][C:8]#[N:9])[c:2]([CH:15]([c:14]2[c:13]([O:12][CH3:11])[cH:22][cH:21][cH:20][cH:19]2)[N:16]([CH3:17])[CH3:18])[cH:3][cH:4][cH:5]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-e0caaaf6499542a38e755394c59e7ba8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…