Ammonium → 1-(6-chloropyrimidin-4-yl)-2,5-dimethylhexahydro-1H-azepine
반응식
[C:27](#[N:28])[CH3:29].[C:9](=[O:10])([O-:11])[O-:12].[CH3:16][CH:17]1[NH:18][CH2:19][CH2:20][CH:21]([CH3:24])[CH2:22][CH2:23]1.[Cl-:25].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1.[ClH:15].[K+:13].[K+:14].[NH4+:26]>>[c:2]1([N:18]2[CH:17]([CH3:16])[CH2:23][CH2:22][CH:21]([CH3:24])[CH2:20][CH2:19]2)[n:3][cH:4][n:5][c:6]([Cl:8])[cH:7]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-17a95014d4334b4196332bee45e5da89
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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