Acetone → HCID 13543667, 화합물
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[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:12]#[N:13])[c:9](=[O:11])[nH:10]1.[CH3:16][O:17][S:18]([O:19][CH3:20])(=[O:21])=[O:22].[CH3:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28].[CH3:29][C:30]([CH3:31])=[O:32].[Na+:15].[OH-:14].[OH2:33]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:12]#[N:13])[c:9](=[O:11])[n:10]1[CH3:16]참가 물질
8
출처 및 근거
- ORD 기록
- ord-de3d9f28b6da44b7a41a0ebd1dbd88be
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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