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[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl:14][c:15]1[c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][n:22][cH:23]1.[F:24][P-:25]([F:26])([F:27])([F:28])([F:29])[F:30].[NH2:1][c:2]1[c:3]([OH:13])[cH:4][cH:5][c:6]([O:8][C:9]([F:10])([F:11])[F:12])[cH:7]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:58].[n:31]1([O:32][P+:33]([N:34]([CH3:35])[CH3:36])([N:37]([CH3:38])[CH3:39])[N:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[NH:1]([c:2]1[c:3]([OH:13])[cH:4][cH:5][c:6]([O:8][C:9]([F:10])([F:11])[F:12])[cH:7]1)[C:17]([c:16]1[c:15]([Cl:14])[cH:23][n:22][cH:21][cH:20]1)=[O:18]참가 물질
8
출처 및 근거
- ORD 기록
- ord-bbb09252229b420d8aa3352eef513a2d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…