Dimethyl Sulfoxide → 4-nitro-5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
반응식
[CH3:21][S:22]([CH3:23])=[O:24].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([C:9](=[O:10])[OH:11])[n:7][nH:8]1.[OH:17][N+:18]([O-:19])=[O:20].[S:12](=[O:13])(=[O:14])([OH:15])[OH:16]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([N+:18](=[O:17])[O-:19])[c:6]([C:9](=[O:10])[OH:11])[n:7][nH:8]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-547a7aac48da43b6bb8356c52e5f89e8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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