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[Br-:36].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([CH3:20])[c:11]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:12][cH:13][cH:14]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([O:28][c:29]2[cH:30][c:31]([Br:35])[cH:32][cH:33][cH:34]2)[cH:26][cH:27]1.[CH2:37]([CH3:38])[O:39][C:40]([CH2:41][CH2:42][Zn+:43])=[O:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([CH3:20])[c:11]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:12][cH:13][cH:14]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([O:28][c:29]2[cH:30][c:31]([CH2:42][CH2:41][C:40]([O:39][CH2:37][CH3:38])=[O:44])[cH:32][cH:33][cH:34]2)[cH:26][cH:27]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-5528114b46e9404d95cda73b226a44db
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…