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Hydrochloric Acid → 5-fluoro-N-(2-hydroxy-2-methylcyclohexyl)-2-[3-(methylsulfanyl)phenoxy]nicotinamide

HRID 799526
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HRID 799526 반응식
[CH3:1][S:2][c:3]1[cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([F:16])[cH:14][n:15]2)[cH:17][cH:18][cH:19]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:27].[ClH:37].[NH2:28][CH:29]1[C:30]([OH:35])([CH3:36])[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][S:2][c:3]1[cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:11])[NH:28][CH:29]3[C:30]([OH:35])([CH3:36])[CH2:31][CH2:32][CH2:33][CH2:34]3)[cH:12][c:13]([F:16])[cH:14][n:15]2)[cH:17][cH:18][cH:19]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 113918232-[3-(Methylsulfanyl)phenoxy]-5-fluoronicotinic acidHCID 203650302-Amino-1-methylcyclohexan-1-ol

생성물 1

HCID 218771395-fluoro-N-(2-hydroxy-2-methylcyclohexyl)-2-[3-(methylsulfanyl)phenoxy]nicotinamide

출처 및 근거

ORD 기록
ord-4b7a5cb9232044de92694e1a2cd62741
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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