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Chloride → 5-[3-fluoro-4-(methylsulfanyl)phenyl]-1-(pyrazin-2-yl)-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

HRID 830048
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HRID 830048 반응식
[CH2:41]([n+:42]1[c:43]([CH3:44])[c:45]([CH2:46][CH2:47][OH:48])[s:49][cH:50]1)[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][CH2:38][OH:39].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl-:40].[F:1][c:2]1[cH:3][c:4]([CH:10]([C:11]([CH:12]=[CH2:13])=[O:14])[CH2:15][CH:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8][CH3:9].[n:22]1[c:23]([CH:28]=[O:29])[cH:24][n:25][cH:26][cH:27]1>>[F:1][c:2]1[cH:3][c:4]([CH:10]([C:11]([CH2:12][CH2:13][C:28]([c:23]2[n:22][cH:27][cH:26][n:25][cH:24]2)=[O:29])=[O:14])[CH2:15][CH:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8][CH3:9]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 312ChlorideHCID 702EthanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 11274980Pyrazine-2-carbaldehydeHCID 593314814-[3-fluoro-4-(methylsulfanyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

생성물 1

HCID 593315445-[3-fluoro-4-(methylsulfanyl)phenyl]-1-(pyrazin-2-yl)-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

출처 및 근거

ORD 기록
ord-5ebae7a511954d89a5bbc967075b9a26
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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