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[Br:36][c:37]1[cH:38][n:39][c:40]([Cl:43])[n:41][cH:42]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:30][CH2:31][CH2:32][OH:33])[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH3:46][C:47]([N:48]([CH3:49])[CH3:50])=[O:51].[Cl-:44].[H-:34].[NH4+:45].[Na+:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:30][CH2:31][CH2:32][O:33][c:40]3[n:39][cH:38][c:37]([Br:36])[cH:42][n:41]3)[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-b6c4f92593fd4749a7ffd38165b6ad86
- 출처 데이터셋
- Test data from https://doi.org/10.1039/C8SC04228D
연결된 노트
불러오는 중…