Acetic Acid → 2-n-Pentyl-3-(2,4-dichlorophenyl)-acrolein
반응식
[CH3:21][C:22](=[O:23])[OH:24].[CH3:25][OH:26].[CH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])=[O:8].[Cl:9][c:10]1[c:11]([CH:12]=[O:13])[cH:14][cH:15][c:16]([Cl:18])[cH:17]1.[Na+:20].[OH-:19]>>[CH:1]([C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])=[CH:12][c:11]1[c:10]([Cl:9])[cH:17][c:16]([Cl:18])[cH:15][cH:14]1)=[O:8]참가 물질
7
출처 및 근거
- ORD 기록
- ord-e9b3dd7e22324285a6aaf12f12d298a1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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