반응식
[Br:24][c:25]1[cH:26][c:27]([NH:31][c:32]2[n:33][cH:34][n:35][c:36]3[cH:37][cH:38][c:39]([NH2:42])[cH:40][c:41]23)[cH:28][cH:29][cH:30]1.[C:1]([CH:2]=[CH:3][CH:4]=[CH:5][CH3:6])(=[O:7])[OH:8].[CH3:17][N:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1.[Cl:9][C:10]([O:11][CH2:12][CH:13]([CH3:14])[CH3:15])=[O:16].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[C:1]([CH:2]=[CH:3][CH:4]=[CH:5][CH3:6])(=[O:8])[NH:42][c:39]1[cH:38][cH:37][c:36]2[n:35][cH:34][n:33][c:32]([NH:31][c:27]3[cH:26][c:25]([Br:24])[cH:30][cH:29][cH:28]3)[c:41]2[cH:40]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-4f3b7731b7294a818f22dc5eee64b21d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…