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Sodium Ion → 4'-{[6-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

HRID 1212898
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HRID 1212898 반응식
[Br:29][CH2:30][C:31](=[O:32])[c:33]1[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]1.[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[nH:9][c:10]2=[O:11])[s:28]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH:48]([Cl:49])([Cl:50])[Cl:51].[H-:46].[Na+:47]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[n:9]([CH2:30][C:31](=[O:32])[c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[c:10]2=[O:11])[s:28]1
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HCID 923Sodium IonHCID 4965Bromomethyl 4-methoxyphenyl ketoneHCID 6212ChloroformHCID 6228DimethylformamideHCID 166653HydrideHCID 593517704'-[(6-ethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]biphenyl-2-carbonitrile

생성물 1

HCID 59351555
4'-{[6-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

출처 및 근거

ORD 기록
ord-6e30dacfd15c40bdbcbf5b46cb539791
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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