Water → HCID 20036619, 화합물
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[CH3:25][CH2:26][O:27][CH2:28][CH3:29].[CH3:6][O:7][CH:8]=[C:9]([C:10]([F:11])([F:12])[F:13])[c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1.[Cl+3:1]([OH:2])([O-:3])([O-:4])[O-:5].[OH2:24]>>[O:7]=[CH:8][CH:9]([C:10]([F:11])([F:12])[F:13])[c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-bf40eee2ee13439b85f23a82c46fa837
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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