4-Iodo-1,2-dihydropyridin-2-one → 2,2-dimethyl-3-[2-oxo-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-6-yl]propanenitrile

반응식

[CH3:1][C:2]([C:3]#[N:4])([CH2:5][C:6]1([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:7][CH2:8][N:9]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][c:18]([B:21]3[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]3)[cH:19][cH:20]2)[C:10](=[O:12])[O:11]1)[CH3:36].[I:37][c:38]1[cH:39][c:40](=[O:44])[nH:41][cH:42][cH:43]1>>[CH3:1][C:2]([C:3]#[N:4])([CH2:5][C:6]1([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:7][CH2:8][N:9]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][c:18](-[c:38]3[cH:39][c:40](=[O:44])[nH:41][cH:42][cH:43]3)[cH:19][cH:20]2)[C:10](=[O:12])[O:11]1)[CH3:36]

참가 물질

반응물 2

HCID 205825354-Iodo-1,2-dihydropyridin-2-one

HCID 723443502,2-Dimethyl-3-[2-oxo-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-6-yl]propanenitrile

생성물 1

HCID 907100382,2-dimethyl-3-[2-oxo-3-[1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-6-yl]propanenitrile

출처 및 근거

ORD 기록: ord-30290eddd11a4f4baf6e16763f9a6b28
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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