Acetone → HCID 11950718, 화합물
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[Br:21][CH2:22][CH2:23][CH2:24][Cl:25].[C:15](=[O:16])([O-:17])[O-:18].[CH3:1][C:2]1([CH3:14])[N:3]=[C:4]([c:7]2[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]2)[O:5][CH2:6]1.[CH3:26][C:27](=[O:28])[CH3:29].[K+:19].[K+:20]>>[CH3:1][C:2]1([CH3:14])[N:3]=[C:4]([c:7]2[cH:8][cH:9][c:10]([O:13][CH2:22][CH2:23][CH2:24][Cl:25])[cH:11][cH:12]2)[O:5][CH2:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-8ab0ecf959574a96b042202637956fd2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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