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[C:46](=[O:47])([O-:48])[O-:49].[Cl:1][c:2]1[c:3]([NH:11][c:12]2[c:13]([C:29]#[N:30])[cH:14][n:15][c:16]3[cH:17][c:18]4[c:19]([cH:20][c:21]23)[cH:22][c:23]([O:27][CH3:28])[c:24]([OH:26])[cH:25]4)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1.[Cs+:50].[Cs+:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([O:37][CH2:41][CH2:42][CH2:43][Cl:44])(=[O:38])=[O:39])[cH:40][cH:45]1>>[Cl:1][c:2]1[c:3]([NH:11][c:12]2[c:13]([C:29]#[N:30])[cH:14][n:15][c:16]3[cH:17][c:18]4[c:19]([cH:20][c:21]23)[cH:22][c:23]([O:27][CH3:28])[c:24]([O:26][CH2:41][CH2:42][CH2:43][Cl:44])[cH:25]4)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-fbd54157a395413ea09a71c11fc53133
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…