홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Water → 1-((5-Cyanopyridin-2-yl)(2-hydroxy-6-oxocyclohex-1-enyl)methyl)-3-(3-(trifluoromethyl)phenyl)urea

HRID 517197
노트
인쇄 미리보기

반응식

HRID 517197 반응식
C[Si](Cl)(C)C.[CH:6]([C:8]1[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[CH:10][N:9]=1)=O.[F:16][C:17]([F:29])([F:28])[C:18]1[CH:19]=[C:20]([NH:24][C:25]([NH2:27])=[O:26])[CH:21]=[CH:22][CH:23]=1.[OH2:30].CN(C)[CH:33]=[O:34]>C(#N)C>[C:12]([C:11]1[CH:14]=[CH:15][C:8]([CH:6]([C:8]2[C:15](=[O:30])[CH2:14][CH2:11][CH2:10][C:33]=2[OH:34])[NH:27][C:25]([NH:24][C:20]2[CH:21]=[CH:22][CH:23]=[C:18]([C:17]([F:28])([F:29])[F:16])[CH:19]=2)=[O:26])=[N:9][CH:10]=1)#[N:13]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 962WaterHCID 6228DimethylformamideHCID 6397ChlorotrimethylsilaneHCID 25712(3-Trifluoromethylphenyl)ureaHCID 213641446-Formylpyridine-3-carbonitrile

생성물 1

HCID 867323171-((5-Cyanopyridin-2-yl)(2-hydroxy-6-oxocyclohex-1-enyl)methyl)-3-(3-(trifluoromethyl)phenyl)urea

시약·촉매·용매

1
HCID 6342Acetonitrile용매

실험 절차

Trimethylsilyl chloride (125 μL, 0.98 mmol) is added to a solution of cyclohexane-1,3-s dione (100 mg, 0.89 mmol), 6-formylnicotinonitrile (118 mg, 0.89 mmol) and 1-(3-(trifluoromethyl)phenyl)urea (182 mg, 0.89 mmol) in a mixture of N,N-dimethyl-formamide (670 μL) and acetonitrile (1.2 mL), and the mixture is stirred at room temperature for 1.5 h. The reaction mixture is cooled to room temperature and poured into a mixture of water and ice. The mixture is filtered, and the precipitate is washed with water and dried under reduced pressure. Yield: 330 mg; ESI mass spectrum [M+H]+=431, Retention time HPLC: 0.63 min (V011_S01).

후처리

  1. temperatureThe reaction mixture is cooled to room temperature
  2. filtrationThe mixture is filtered
  3. washthe precipitate is washed with water
  4. customdried under reduced pressure
  5. custom0.63 min (V011_S01)

출처 및 근거

ORD 기록
ord-98cd3d6ef57146939d054ecc601125f6
출처 데이터셋
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09115093B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트