Acetone → HCID 47453787, 화합물
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[CH3:23][C:24]([CH3:25])=[O:26].[NH2:12][c:13]1[n:14][c:15]([Cl:20])[cH:16][c:17]([Cl:19])[n:18]1.[Na+:22].[OH-:21].[OH2:27].[OH:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1>>[O:1]([c:2]1[cH:3][c:4]2[cH:5][cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1)[c:17]1[cH:16][c:15]([Cl:20])[n:14][c:13]([NH2:12])[n:18]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-131e4829b6c6414eb43db7b93ad0ab64
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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