Acetone → HCID 178454975, 화합물
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[C:16](=[O:17])([O-:18])[O-:19].[CH2:22]([CH2:23][CH2:24][CH3:25])[Br:26].[CH3:27][C:28](=[O:29])[CH3:30].[Cl:1][c:2]1[c:3]([NH:9][C:10](=[S:11])[NH:12][C:13]([CH3:14])=[O:15])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[K+:20].[K+:21]>>[Cl:1][c:2]1[c:3]([NH:9][C:10]([S:11][CH2:22][CH2:23][CH2:24][CH3:25])=[N:12][C:13]([CH3:14])=[O:15])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-96357e29bac549f5ad900c8933feed42
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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