Ethanol → Ethyl (4-cyclohexylphenyl)acetate
반응식
[CH3:16][CH2:17][OH:18].[CH:1]1([c:7]2[cH:8][cH:9][c:10]([CH2:13][C:14]#[N:15])[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:24].[S:19]([OH:20])(=[O:21])(=[O:22])[OH:23]>>[CH:1]1([c:7]2[cH:8][cH:9][c:10]([CH2:13][C:14]([O:18][CH2:17][CH3:16])=[O:20])[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-5a74d74d23c74083bd23227b5ed1ae9e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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