Acetic Acid → 1-Methyl-3-(5-nitrofuran-2-yl)-1H-pyrazole-4-carbonitrile
반응식
[CH3:18][I:19].[CH3:20][C:21](=[O:22])[OH:23].[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[H-:16].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:9]2[n:10][nH:11][cH:12][c:13]2[C:14]#[N:15])[o:8]1.[Na+:17].[OH2:29]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:9]2[n:10][n:11]([CH3:20])[cH:12][c:13]2[C:14]#[N:15])[o:8]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-d21cdf8f375a497894160f1ad60cf9e3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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