Methanol → Methyl 2,5-dimethyl-4-nitrobenzoate
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[CH3:19][OH:20].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([CH3:14])[c:9]([N+:11](=[O:12])[O-:13])[cH:10]1.[S:15]([Cl:16])([Cl:17])=[O:18]>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:19])[cH:7][c:8]([CH3:14])[c:9]([N+:11](=[O:12])[O-:13])[cH:10]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-f11774e2e19643ffa35c51bf53f368e7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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