Ethylene Glycol → 1-[5-(2-Methyl-[1,3]dioxolan-2-yl)-furan-2-ylmethyl]-3-nitro-1H-pyrazole
반응식
[CH3:24][c:25]1[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[N+:3](=[O:4])([O-:5])[c:6]1[n:7][n:8]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:17]([CH3:18])=[O:19])[o:16]2)[cH:9][cH:10]1.[N:1]#[N:2].[OH2:42].[OH:20][CH2:21][CH2:22][OH:23]>>[N+:3](=[O:4])([O-:5])[c:6]1[n:7][n:8]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:17]3([CH3:18])[O:19][CH2:22][CH2:21][O:20]3)[o:16]2)[cH:9][cH:10]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-908de7fee01640369fe3f320bb090cae
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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