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

Diisopropylethylamine → (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-(2-(dimethylamino)ethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide

HRID 1677040
노트
인쇄 미리보기

반응식

HRID 1677040 반응식
[C:1]1(=[O:11])[C@H:9]2[C@@H:4]([CH2:5][CH2:6][CH2:7][CH2:8]2)[C:3](=[O:10])O1.[CH3:12][N:13]([CH3:30])[CH2:14][CH2:15][O:16][C:17]1[C:25]2[NH:24][C:23]3[CH2:26][CH2:27][NH:28][CH2:29][C:22]=3[C:21]=2[CH:20]=[CH:19][CH:18]=1.C(N(CC)C(C)C)(C)C.CN(C(ON1N=[N:55][C:50]2[CH:51]=[CH:52]C=[N:54][C:49]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.Cl.NC1(C#N)CC1>CN(C=O)C>[C:49]([C:50]1([NH:55][C:1]([C@@H:9]2[CH2:8][CH2:7][CH2:6][CH2:5][C@H:4]2[C:3]([N:28]2[CH2:27][CH2:26][C:23]3[NH:24][C:25]4[C:17]([O:16][CH2:15][CH2:14][N:13]([CH3:30])[CH3:12])=[CH:18][CH:19]=[CH:20][C:21]=4[C:22]=3[CH2:29]2)=[O:10])=[O:11])[CH2:52][CH2:51]1)#[N:54]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 81531DiisopropylethylamineHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 10942665trans-Cyclohexane-1,2-dicarboxylic anhydrideHCID 145863631-Amino-1-cyclopropanecarbonitrile hydrochlorideHCID 57541284N,N-dimethyl-2-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yloxy)ethanamine

생성물 1

HCID 25112828(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-(2-(dimethylamino)ethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide수율 23%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

(3aR,7aR)-hexahydroisobenzofuran-1,3-dione (125 mg, 0.81 mmol) was added to N,N-dimethyl-2-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-6-yloxy)ethanamine (210 mg, 0.81 mmol) in DMF (10 ml) at room temperature under air. The resulting solution was stirred at room temperature for 2 hours. N,N-Diisopropylethylamine (0.535 ml, 3.24 mmol), HATU (462 mg, 1.21 mmol) and 1-amino-1-cyclopropanecarbonitrile HCL (144 mg, 1.21 mmol) were then added to the mixture. The resulting solution was stirred at room temperature for 20 hours. The crude product was purified by preparative HPLC (0.1% NH3, CH3CN/H2O gradient) as eluents to afford as a brown gum (89 mg, 23%).

후처리

  1. stirringThe resulting solution was stirred at room temperature for 20 hours
  2. customThe crude product was purified by preparative HPLC (0.1% NH3, CH3CN/H2O gradient) as eluents

출처 및 근거

ORD 기록
ord-ab4c8d1c547e4a7cb2168ab6c119c52e
출처 데이터셋
uspto-grants-2011_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08008279B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트