Nitric Acid → 1-(2,4-dimethyl-5-nitro-1H-pyrrol-3-yl)-ethanone
반응식
[CH3:15][C:16]([O:17][C:18]([CH3:19])=[O:20])=[O:21].[CH3:5][c:6]1[nH:7][cH:8][c:9]([CH3:14])[c:10]1[C:11]([CH3:12])=[O:13].[OH:1][N+:2]([O-:3])=[O:4]>>[O-:1][N+:2](=[O:4])[c:8]1[nH:7][c:6]([CH3:5])[c:10]([C:11]([CH3:12])=[O:13])[c:9]1[CH3:14]참가 물질
4
출처 및 근거
- ORD 기록
- ord-a2ca177e653347099b75a93c12d8d44d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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