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

HRID 698765
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HRID 698765 반응식
[Br:31][CH2:32][C:33](=[O:34])[c:35]1[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]1.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([n:8]([CH2:14][c:15]4[c:16]([F:29])[cH:17][c:18](-[c:21]5[c:22]([C:27]#[N:28])[cH:23][cH:24][cH:25][cH:26]5)[cH:19][cH:20]4)[c:9](=[O:13])[nH:10][c:11]3=[O:12])[s:30]2)[CH2:2][CH2:3]1.[H-:48].[Na+:49]>>[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([n:8]([CH2:14][c:15]4[c:16]([F:29])[cH:17][c:18](-[c:21]5[c:22]([C:27]#[N:28])[cH:23][cH:24][cH:25][cH:26]5)[cH:19][cH:20]4)[c:9](=[O:13])[n:10]([CH2:32][C:33](=[O:34])[c:35]4[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]4)[c:11]3=[O:12])[s:30]2)[CH2:2][CH2:3]1
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HCID 923Sodium IonHCID 4965Bromomethyl 4-methoxyphenyl ketoneHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 593515214'-[(6-cyclopropyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]-3'-fluorobiphenyl-2-carbonitrile

생성물 1

HCID 59351650
4'-{[6-cyclopropyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

출처 및 근거

ORD 기록
ord-22b7d9464d634d11972a89815a450a6a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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