Methanol → Methyl 2-ethoxy-4,5-dinitrobenzoate
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[CH3:23][OH:24].[N+:5](=[O:6])([O-:7])[c:8]1[cH:9][c:10]([O:20][CH2:21][CH3:22])[c:11]([C:12](=[O:13])[OH:14])[cH:15][c:16]1[N+:17](=[O:18])[O-:19].[S:1]([Cl:2])([Cl:3])=[O:4]>>[N+:5](=[O:6])([O-:7])[c:8]1[cH:9][c:10]([O:20][CH2:21][CH3:22])[c:11]([C:12]([O:13][CH3:23])=[O:14])[cH:15][c:16]1[N+:17](=[O:18])[O-:19]참가 물질
4
출처 및 근거
- ORD 기록
- ord-3cb2f7d107b44723b5516e7f0155095d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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