반응식
[CH3:35][CH2:36][O:37][CH2:38][CH2:39][OH:40].[Cl:17][c:18]1[c:19]([NH2:20])[cH:21][c:22]([O:26][CH3:27])[c:23]([Cl:25])[cH:24]1.[Cl:1][c:2]1[c:3]([C:15]#[N:16])[cH:4][n:5][c:6]2[cH:7][c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][c:11]12.[ClH:28].[n:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[c:2]1([NH:20][c:19]2[c:18]([Cl:17])[cH:24][c:23]([Cl:25])[c:22]([O:26][CH3:27])[cH:21]2)[c:3]([C:15]#[N:16])[cH:4][n:5][c:6]2[cH:7][c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][c:11]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-5c995a5e74164d6ea1270f3c3acb7e9e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…