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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Triethylamine → 6-oxo-N-(quinolin-3-yl)-7,8,9,10-tetrahydro-6H-pyrido[3',2':4,5]pyrrolo[1,2-a][1,4]diazepine-2-carboxamide

HRID 1521761
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인쇄 미리보기

반응식

HRID 1521761 반응식
[O:1]=[C:2]1[NH:8][CH2:7][CH2:6][CH2:5][N:4]2[C:9]3[N:15]=[C:14]([C:16]([OH:18])=O)[CH:13]=[CH:12][C:10]=3[CH:11]=[C:3]12.C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.[NH2:52][C:53]1[CH:54]=[N:55][C:56]2[C:61]([CH:62]=1)=[CH:60][CH:59]=[CH:58][CH:57]=2.C(N(CC)CC)C>CN(C=O)C>[O:1]=[C:2]1[NH:8][CH2:7][CH2:6][CH2:5][N:4]2[C:9]3[N:15]=[C:14]([C:16]([NH:52][C:53]4[CH:54]=[N:55][C:56]5[C:61]([CH:62]=4)=[CH:60][CH:59]=[CH:58][CH:57]=5)=[O:18])[CH:13]=[CH:12][C:10]=3[CH:11]=[C:3]12
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 8471TriethylamineHCID 113753-AminoquinolineHCID 2724699PyBOPHCID 672363426-Oxo-7,8,9,10-tetrahydro-6H-pyrido[3',2':4,5]pyrrolo[1,2-a][1,4]diazepine-2-carboxylic acid2회

생성물 1

HCID 532421996-oxo-N-(quinolin-3-yl)-7,8,9,10-tetrahydro-6H-pyrido[3',2':4,5]pyrrolo[1,2-a][1,4]diazepine-2-carboxamide수율 82%

시약·촉매·용매

1
HCID 6228Dimethylformamide용매

실험 절차

A solution of 6-oxo-7,8,9,10-tetrahydro-6H-pyrido[3′,2′:4,5]pyrrolo[1,2-a][1,4]diazepine-2-carboxylic acid (Intermediate E, 75 mg, 0.31 mmol) and PyBOP (175 mg, 0.34 mmol) in DMF (2 mL) is stirred for 30 min. 3-Aminoquinoline (49 mg, 0.34 mmol) and triethylamine (171 μL, 1.22 mmol) are added and the reaction is stirred at room temperature for 16 h. The mixture is purified via preparative HPLC using a gradient elution from 10-75% acetonitrile/H2O with 0.1% TFA to afford the title compound (93 mg, 82%). LCMS: 372.20 (M+H+). (Method V)

후처리

  1. customThe mixture is purified via preparative HPLC
  2. washa gradient elution from 10-75% acetonitrile/H2O with 0.1% TFA

출처 및 근거

ORD 기록
ord-67da636374b444da931ba3ad8e699692
출처 데이터셋
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09073926B2

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