Acetone → HCID 12962350, 화합물
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[CH3:12][C:13](=[O:14])[CH3:15].[Cl:16][CH:17]([Cl:18])[C:19]([Cl:20])=[O:21].[OH2:22].[c:1]1([CH:7]2[S:8][CH2:9][CH2:10][NH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[S:8][CH2:9][CH2:10][N:11]2[C:19]([CH:17]([Cl:16])[Cl:18])=[O:21])[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-678ccc81c2bc43a580c92521e8707970
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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