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[Br:18][c:19]1[cH:20][c:21]2[c:22]([cH:23][c:24]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[s:25]2)[cH:31][cH:32]1.[C:1]([CH2:2][C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])(=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[Cl-:33].[H-:16].[NH4+:34].[Na+:17]>>[C:1]([CH:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[c:19]1[cH:20][c:21]2[c:22]([cH:23][c:24]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[s:25]2)[cH:31][cH:32]1)(=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15]참가 물질
8
출처 및 근거
- ORD 기록
- ord-a81051ffe13b4b3d8154bf8c03f8649b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
연결된 노트
불러오는 중…