Tert-butyl 2-amino-4-isopropylphenylcarbamate → {2-[3-(2-Cyano-pyridin-4-yl)-3-oxo-propionylamino]-4-isopropyl-phenyl}-carbamic acid tert.-butyl ester
반응식
[C:19]([CH3:21])([CH3:22])([O:23][C:24](=[O:20])[CH2:25][C:26](=[O:27])[c:28]1[cH:29][c:30]([C:34]#[N:35])[n:31][cH:32][cH:33]1)[CH3:36].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:17])[cH:10][c:11]([CH:14]([CH3:15])[CH3:16])[cH:12][cH:13]1)=[O:18]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:17][C:24](=[O:23])[CH2:25][C:26](=[O:27])[c:28]2[cH:29][c:30]([C:34]#[N:35])[n:31][cH:32][cH:33]2)[cH:10][c:11]([CH:14]([CH3:15])[CH3:16])[cH:12][cH:13]1)=[O:18]참가 물질
3
출처 및 근거
- ORD 기록
- ord-fd6e4efdc7464c71b32bba6e610beb76
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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