Water → HCID 14631295, 화합물
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[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]([CH3:15])([CH3:16])[C:8]([OH:12])([C:13]#[CH:14])[CH:9]([CH3:11])[CH2:10]1.[CH3:18][c:19]1[c:20]([CH3:21])[cH:22][cH:23][cH:24][cH:25]1.[OH2:17]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]([CH3:15])([CH3:16])[C:8]([C:13]#[CH:14])=[C:9]([CH3:11])[CH2:10]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-c2c98cd6047d486b86e78e3639671a5a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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