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[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH3:51][N:52]([S:53](=[O:54])(=[O:55])[NH2:56])[CH3:57].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH:8]1([c:14]2[c:15]3[cH:16][cH:17][c:18]([C:36](=[O:37])[OH:38])[cH:19][c:20]3[n:21]3[c:22]2-[c:23]2[c:24]([cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)[CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]3)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[Cl:67][CH2:68][Cl:69].[ClH:50].[O-:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[CH:8]1([c:14]2[c:15]3[cH:16][cH:17][c:18]([C:36](=[O:37])[NH:56][S:53]([N:52]([CH3:51])[CH3:57])(=[O:54])=[O:55])[cH:19][c:20]3[n:21]3[c:22]2-[c:23]2[c:24]([cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)[CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]3)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-9b5e7723ef1a4d1589bdbcaf30b94bde
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…