Acetate → CYANO-CYCLOHEXYLIDENE-ACETIC ACID METHYL ESTER
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[CH3:16][C:17](=[O:18])[O-:19].[CH3:20][C:21](=[O:22])[OH:23].[CH3:8][O:9][C:10](=[O:11])[CH2:12][C:13]#[N:14].[NH4+:15].[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[C:2]1(=[C:12]([C:10]([O:9][CH3:8])=[O:11])[C:13]#[N:14])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-6273997924f74e588e8052a9ba19a24f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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