Sodium Ion → 4-Isopropoxy-1-mesityl-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-d]pyridazin-7-one
반응식
[CH3:1][CH:2]([CH3:3])[OH:4].[Cl:7][c:8]1[c:9]2[c:10]([c:11](=[O:15])[n:12]([CH3:14])[n:13]1)[n:16](-[c:19]1[c:20]([CH3:27])[cH:21][c:22]([CH3:26])[cH:23][c:24]1[CH3:25])[cH:17][cH:18]2.[H-:5].[Na+:6].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32].[OH2:33]>>[CH3:1][CH:2]([CH3:3])[O:4][c:8]1[c:9]2[c:10]([c:11](=[O:15])[n:12]([CH3:14])[n:13]1)[n:16](-[c:19]1[c:20]([CH3:27])[cH:21][c:22]([CH3:26])[cH:23][c:24]1[CH3:25])[cH:17][cH:18]2참가 물질
7
출처 및 근거
- ORD 기록
- ord-f076e6d65b3b4e8cbbc73a46fed87c75
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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