Acetone → HCID 848831, 화합물
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[CH3:15][I:16].[CH3:1][c:2]1[c:3](=[O:14])[nH:4][c:5]2[cH:6][c:7]([CH3:13])[c:8]([CH3:12])[cH:9][c:10]2[n:11]1.[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[CH3:28][C:29](=[O:30])[CH3:31].[Na+:17].[Na+:18].[O-:19][C:20](=[O:21])[O-:22]>>[CH3:1][c:2]1[c:3](=[O:14])[n:4]([CH3:20])[c:5]2[cH:6][c:7]([CH3:13])[c:8]([CH3:12])[cH:9][c:10]2[n:11]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-1cc9b2ec59134614b702157e49eb0f60
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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