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[C:31]([O-:32])(=[O:33])[CH3:34].[CH3:21][O:22][CH2:23][C:24]([CH2:25][C:26](=[O:27])[O:28][CH3:29])=[O:30].[CH3:38][CH2:39][OH:40].[ClH:36].[F:1][C:2]1([F:16])[C:3]([F:14])([F:15])[O:4][c:5]2[c:6]([cH:8][c:9]([F:13])[c:10]([NH2:12])[cH:11]2)[O:7]1.[N:17]([O-:18])=[O:19].[Na+:20].[Na+:35].[OH2:37]>>[F:1][C:2]1([F:16])[C:3]([F:14])([F:15])[O:4][c:5]2[c:6]([cH:8][c:9]([F:13])[c:10]([NH:12][N:17]=[C:25]([C:24]([CH2:23][O:22][CH3:21])=[O:30])[C:26](=[O:27])[O:28][CH3:29])[cH:11]2)[O:7]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-210795c6f9e540fdacef8fcc5dd3b1b6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…