Acetone → 1,3-Dioxane-5-methanol, 5-ethyl-2,2-dimethyl-
반응식
[CH2:1]([OH:2])[C:3]([CH2:4][CH3:5])([CH2:6][OH:7])[CH2:8][OH:9].[CH3:10][C:11]([CH3:12])=[O:13].[CH3:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].[OH2:14].[c:15]1([CH3:16])[cH:17][cH:18][c:19]([S:20]([OH:21])(=[O:22])=[O:23])[cH:24][cH:25]1>>[CH2:1]([OH:2])[C:3]1([CH2:4][CH3:5])[CH2:6][O:7][C:11]([CH3:10])([CH3:12])[O:9][CH2:8]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-d70dfef1962f4004adad1d955c4639e0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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