Dimethyl Sulfoxide → 4-nitro-N-prop-2-ynylaniline
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[C:17](=[O:18])([O-:19])[O-:20].[CH2:11]([C:12]#[CH:13])[NH2:14].[CH3:23][S:24]([CH3:25])=[O:26].[F-:15].[F:1][c:2]1[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[K+:16].[K+:21].[K+:22].[OH2:27]>>[c:2]1([NH:14][CH2:11][C:12]#[CH:13])[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-f44c159321f04322916750d3a844acd2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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