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Sodium Ion → 1,3-dimethyl-6-[2-(4-[4-acetylphenyl]piperazin-1-yl)ethylamino]-2,4(1H,3H)-pyrimidinedione

HRID 184257
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인쇄 미리보기

반응식

HRID 184257 반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:8][cH:9]1.[CH3:16][n:17]1[c:18](=[O:39])[n:19]([CH3:38])[c:20](=[O:37])[cH:21][c:22]1[NH:23][CH2:24][CH2:25][O:26][S:27]([c:28]1[cH:29][cH:30][c:31]([CH3:32])[cH:33][cH:34]1)(=[O:35])=[O:36].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][N:13]([CH2:25][CH2:24][NH:23][c:22]3[n:17]([CH3:16])[c:18](=[O:39])[n:19]([CH3:38])[c:20](=[O:37])[cH:21]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1
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참가 물질

5

반응물 4

HCID 923Sodium Ion2회HCID 19660Carbonate IonHCID 97269Piperazin-4-ylacetophenoneHCID 102474872-((1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)ethyl 4-methylbenzenesulfonate

생성물 1

HCID 190119961,3-dimethyl-6-[2-(4-[4-acetylphenyl]piperazin-1-yl)ethylamino]-2,4(1H,3H)-pyrimidinedione

출처 및 근거

ORD 기록
ord-fd406f5777b145f9a9363e6be68b7a04
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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