Acetone → 1,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl-
반응식
[CH2:1]([CH3:2])[C:3]([CH2:4][OH:5])([CH2:6][OH:7])[CH2:8][OH:9].[CH3:10][C:11]([CH3:12])=[O:13].[c:14]1([CH3:15])[cH:16][cH:17][c:18]([S:19]([OH:20])(=[O:21])=[O:22])[cH:23][cH:24]1.[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH2:1]([CH3:2])[C:3]1([CH2:8][OH:9])[CH2:4][O:5][C:11]([CH3:10])([CH3:12])[O:7][CH2:6]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-663cf76f57464f50bd25b9fa46a5ecc4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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