Pyridine → Isopropyl 5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
반응식
[CH:19]([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[Cl:25].[Cl:26][CH2:27][Cl:28].[NH:1]1[c:2]2[c:3]([cH:9][cH:10][cH:11][cH:12]2)[C:4](=[O:8])[CH2:5][CH2:6][CH2:7]1.[cH:13]1[cH:14][cH:15][n:16][cH:17][cH:18]1>>[N:1]1([C:23]([O:22][CH:19]([CH3:20])[CH3:21])=[O:24])[c:2]2[c:3]([cH:9][cH:10][cH:11][cH:12]2)[C:4](=[O:8])[CH2:5][CH2:6][CH2:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-6d8fda9a12c94fb1a1dd8c90c6b10985
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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