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[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH:17]1([CH2:23][C:24](=[O:25])[OH:26])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1.[F:1][C:2]([c:3]1[c:4]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[n:5][cH:6][cH:7][cH:8]1)([F:15])[F:16].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][P+:36]([N:37]([CH3:38])[CH3:39])([N:40]([CH3:41])[CH3:42])[N:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[F:1][C:2]([c:3]1[c:4]([N:9]2[CH2:10][CH2:11][N:12]([C:24]([CH2:23][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)=[O:25])[CH2:13][CH2:14]2)[n:5][cH:6][cH:7][cH:8]1)([F:15])[F:16]참가 물질
6
출처 및 근거
- ORD 기록
- ord-22a49906b2d5467aaea7a1cf22feccd0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…