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Dimethylformamide → 3-{4-[4-(4-methanesulfonyl-piperazin-1-ylmethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-phenyl}-4H-[1,2,4]oxadiazol-5-one

HRID 949841
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인쇄 미리보기

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HRID 949841 반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH2:7][c:8]2[c:9]([CH2:23][O:24][S:25]([CH3:26])(=[O:27])=[O:28])[n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[s:12]2)[cH:29][cH:30][c:31]1-[c:32]1[n:33][o:34][c:35](=[O:37])[nH:36]1.[CH3:47][S:48](=[O:49])(=[O:50])[N:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH2:7][c:8]2[c:9]([CH2:23][N:54]3[CH2:53][CH2:52][N:51]([S:48]([CH3:47])(=[O:49])=[O:50])[CH2:56][CH2:55]3)[n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[s:12]2)[cH:29][cH:30][c:31]1-[c:32]1[n:33][o:34][c:35](=[O:37])[nH:36]1
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참가 물질

5

반응물 4

HCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 7091611-(Methylsulfonyl)piperazineHCID 136149934HCID 136149934, 화합물

생성물 1

HCID 1361499623-{4-[4-(4-methanesulfonyl-piperazin-1-ylmethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-phenyl}-4H-[1,2,4]oxadiazol-5-one

출처 및 근거

ORD 기록
ord-264744b68a68497584efb6cc30067c88
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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