Water → (+/-)-2-Propionyl-2-azabicyclo[2.2.1]hept-5-en-3-one
반응식
[C:15]([CH2:16][CH3:17])(=[O:18])[Cl:19].[CH3:21][C:22]#[N:23].[CH:1]12[NH:2][C:3](=[O:8])[CH:4]([CH:5]=[CH:6]1)[CH2:7]2.[OH2:20].[cH:9]1[cH:10][cH:11][n:12][cH:13][cH:14]1>>[CH:1]12[N:2]([C:15]([CH2:16][CH3:17])=[O:18])[C:3](=[O:8])[CH:4]([CH:5]=[CH:6]1)[CH2:7]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-f59bc637b3844ceba30e4b466ce7dafb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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