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Citric Acid → 4-Benzylthio-5-methoxycarbonyl-6-(4-hydroxypiperidin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-yl)pyrimidine

HRID 103038
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HRID 103038 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[n:10][c:11]([Cl:26])[n:12][c:13]([N:19]2[CH2:20][CH2:21][CH:22]([OH:25])[CH2:23][CH2:24]2)[c:14]1[C:15](=[O:16])[O:17][CH3:18].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][N:44]([CH3:45])[C:46](=[O:47])[CH3:48].[OH:49][C:50]([CH2:51][C:52]([C:53](=[O:54])[OH:55])([CH2:56][C:57](=[O:58])[OH:59])[OH:60])=[O:61].[n:27]1[cH:28][cH:29][n:30]2[c:31]1[CH2:32][NH:33][CH2:34][CH2:35]2>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[n:10][c:11]([N:33]2[CH2:32][c:31]3[n:27][cH:28][cH:29][n:30]3[CH2:35][CH2:34]2)[n:12][c:13]([N:19]2[CH2:20][CH2:21][CH:22]([OH:25])[CH2:23][CH2:24]2)[c:14]1[C:15](=[O:16])[O:17][CH3:18]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 311Citric AcidHCID 8471TriethylamineHCID 31374DimethylacetamideHCID 132470465,6,7,8-Tetrahydroimidazo(1,2-a)pyrazineHCID 178482664-Benzylthio-5-methoxycarbonyl-6-(4-hydroxypiperidine-1-yl)-2-chloropyrimidine

생성물 1

HCID 17848277
4-Benzylthio-5-methoxycarbonyl-6-(4-hydroxypiperidin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-yl)pyrimidine

출처 및 근거

ORD 기록
ord-35929947ad28495994ed6ff5f9b3c092
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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