Benzene → HCID 23468751, 화합물
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[C:1]([O:2][CH:5]=[O:6])(=[O:3])[CH3:4].[C:23](=[O:24])([OH:25])[O-:26].[F:7][C:8]([c:9]1[cH:10][c:11]([CH:15]2[CH2:16][NH:17][CH2:18][CH2:19][CH2:20]2)[cH:12][cH:13][cH:14]1)([F:21])[F:22].[Na+:27].[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[CH:5](=[O:6])[N:17]1[CH2:16][CH:15]([c:11]2[cH:10][c:9]([C:8]([F:7])([F:21])[F:22])[cH:14][cH:13][cH:12]2)[CH2:20][CH2:19][CH2:18]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-4877eb0bcb164e8592d386560dcd3d79
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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