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[CH3:25][C:26]([CH3:27])([CH3:28])[CH2:29][C:30]([OH:31])=[O:32].[F:33][C:34]([F:35])([F:36])[C:37]([OH:38])=[O:39].[NH2:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][c:10]2[c:15]([cH:16][n:17]1)[N:14]([CH3:18])[C:13](=[O:19])[CH:12]([CH2:20][CH3:21])[N:11]2[CH:22]([CH3:23])[CH3:24]>>[NH:1]([c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][c:10]2[c:15]([cH:16][n:17]1)[N:14]([CH3:18])[C:13](=[O:19])[CH:12]([CH2:20][CH3:21])[N:11]2[CH:22]([CH3:23])[CH3:24])[C:30]([CH2:29][C:26]([CH3:25])([CH3:27])[CH3:28])=[O:31]참가 물질
4
출처 및 근거
- ORD 기록
- ord-a58baf190cce46a1a4bee21a69c7c1c9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…