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Hydrochloric Acid → 5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

HRID 117899
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HRID 117899 반응식
[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[ClH:1].[ClH:30].[F:11][c:12]1[cH:13][n:14][c:15]([O:21][c:22]2[cH:23][c:24]([S:28][CH3:29])[cH:25][cH:26][cH:27]2)[c:16]([C:17](=[O:18])[OH:19])[cH:20]1.[OH:2][CH2:3][CH:4]1[CH:5]([NH2:10])[CH2:6][CH2:7][CH2:8][CH2:9]1.[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[OH:2][CH2:3][CH:4]1[CH:5]([NH:10][C:17]([c:16]2[c:15]([O:21][c:22]3[cH:23][c:24]([S:28][CH3:29])[cH:25][cH:26][cH:27]3)[n:14][cH:13][c:12]([F:11])[cH:20]2)=[O:18])[CH2:6][CH2:7][CH2:8][CH2:9]1
참가 물질출처 및 근거반응 노트

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반응물 7

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 544863(2-Aminocyclohexyl)methanolHCID 113918232-[3-(Methylsulfanyl)phenoxy]-5-fluoronicotinic acid

생성물 1

HCID 218771235-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

출처 및 근거

ORD 기록
ord-6ac30052ad2a47d8986d8972e2cb87da
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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