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

Water → HCID 178523854, 화합물

HRID 516458
노트
인쇄 미리보기

반응식

HRID 516458 반응식
[OH:1][C:2]1[N:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][N:8]=2)[N:5]=[C:4]([C:13]([OH:15])=O)[CH:3]=1.CN(C(ON1N=NC2C=CC(=CC1=2)Cl)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN(C=O)C.CC1OC(=O)OC=1C[O:54][C:55](=[O:75])[C@H:56]([OH:74])[CH2:57][C@H:58]([NH2:73])[CH2:59][C:60]1[CH:65]=[CH:64][C:63]([C:66]2[CH:71]=[CH:70][CH:69]=[C:68]([Cl:72])[CH:67]=2)=[CH:62][CH:61]=1.CCN(C(C)C)C(C)C.[Li+].[OH-].O>>[Cl:72][C:68]1[CH:67]=[C:66]([C:63]2[CH:62]=[CH:61][C:60]([CH2:59][C@@H:58]([NH:73][C:13]([C:4]3[CH:3]=[C:2]([OH:1])[N:6]([C:7]4[CH:12]=[CH:11][CH:10]=[CH:9][N:8]=4)[N:5]=3)=[O:15])[CH2:57][C@@H:56]([OH:74])[C:55]([OH:75])=[O:54])=[CH:65][CH:64]=2)[CH:71]=[CH:70][CH:69]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 3939Lithium HydroxideHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 42624899O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphateHCID 86705143(2R,4R)-4-Amino-5-(3'-chlorobiphenyl-4-yl)-2-hydroxypentanoic acid 5-methyl-2-oxo[1,3]dioxol-4-ylmethyl ester
HCID 178524632
HCID 178524632, 화합물

생성물 1

HCID 178523854HCID 178523854, 화합물수율 58.4%

실험 절차

5-Hydroxy-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid (59.0 mg, 287 μmol) and HCTU (131 mg, 316 μmol) were combined in DMF (1.3 mL, 17.2 mmol). and stirred at room temperature for 15 minutes. (2R,4R)-4-amino-5-(3′-chlorobiphenyl-4-yl)-2-hydroxypentanoic acid 5-methyl-2-oxo[1,3]dioxol-4-ylmethyl ester (100 mg, 0.3 mmol) and DIPEA (150 μL, 862 μmol) were added, and the resulting mixture was stirred at room temperature for 15 minutes. The reaction was evaporated under reduced pressure. The residue was dissolved in EtOH and a solution of 1 M LiOH in water (1.4 mL, 1.4 mmol) was added. The resulting mixture was stirred at room temperature for 1 hour, then evaporated under reduced pressure. The residue was purified by preparative HPLC to yield the title compound (85 mg). MS m/z [M+H]+ calc'd for C26H23ClN4O5, 507.14. found 507.1.

후처리

  1. stirringthe resulting mixture was stirred at room temperature for 15 minutes
  2. customThe reaction was evaporated under reduced pressure
  3. dissolutionThe residue was dissolved in EtOH
  4. stirringThe resulting mixture was stirred at room temperature for 1 hour
  5. customevaporated under reduced pressure
  6. customThe residue was purified by preparative HPLC

출처 및 근거

ORD 기록
ord-ce0445d45c554fd1a3e844e7cd261934
출처 데이터셋
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09108934B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트