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

Sodium Acetate → 3-[2-(Benzofuran-2-ylmethoxycarbonylamino)-2-(1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid 4-(3-hydroxy-pyrrolidin-1-ylmethyl)-benzoyloxymethyl ester monohydrochloride salt

HRID 1384511
노트
인쇄 미리보기

반응식

HRID 1384511 반응식
[CH:1]([C:3]1[CH:52]=[CH:51][C:6]([C:7]([O:9][CH2:10][O:11][C:12]([N:14]2[C:22]3[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=3)[C:16]([CH2:23][C:24]([NH:37][C:38]([O:40][CH2:41][C:42]3[O:43][C:44]4[CH:50]=[CH:49][CH:48]=[CH:47][C:45]=4[CH:46]=3)=[O:39])([C:26](=[O:36])[NH:27][CH:28]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)[CH3:29])[CH3:25])=[CH:15]2)=[O:13])=[O:8])=[CH:5][CH:4]=1)=O.[ClH:53].[OH:54][CH:55]1[CH2:59][CH2:58][NH:57][CH2:56]1.C([O-])(=O)C.[Na+]>C(Cl)(Cl)Cl>[ClH:53].[OH:54][CH:55]1[CH2:59][CH2:58][N:57]([CH2:1][C:3]2[CH:52]=[CH:51][C:6]([C:7]([O:9][CH2:10][O:11][C:12]([N:14]3[C:22]4[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=4)[C:16]([CH2:23][C:24]([NH:37][C:38]([O:40][CH2:41][C:42]4[O:43][C:44]5[CH:50]=[CH:49][CH:48]=[CH:47][C:45]=5[CH:46]=4)=[O:39])([C:26](=[O:36])[NH:27][CH:28]([C:30]4[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=4)[CH3:29])[CH3:25])=[CH:15]3)=[O:13])=[O:8])=[CH:5][CH:4]=2)[CH2:56]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 517045Sodium AcetateHCID 27694083-Hydroxypyrrolidine hydrochlorideHCID 206699173-[2-(Benzofuran-2-ylmethoxycarbonylamino)-2-(1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid 4-formylbenzoyloxymethyl ester

생성물 1

HCID 702091333-[2-(Benzofuran-2-ylmethoxycarbonylamino)-2-(1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid 4-(3-hydroxy-pyrrolidin-1-ylmethyl)-benzoyloxymethyl ester monohydrochloride salt
수율 51%

시약·촉매·용매 1

HCID 6212Chloroform용매

실험 절차

NaHB(OAc)3 (0.085 g, 0.4 mmol, 1.4 eq.) was added in three equal portions in 10 minutes to a cloudy solution of compound 19 (0.2 g, 0.285 mmol), 3-hydroxypyrrolidine hydrochloride (0.07 g, 0.57 mmol, 2.0 eq.) and sodium acetate (0.047 g, 0.57 mmol, 2.0 eq.) in dry chloroform (10 mL) under N2 in an ice bath. The reaction was stirred in ice bath for 20 minutes and at room temperature for 4 hours to give a white suspension. The reaction mixture was worked up and purified as above to give compound 20h (0.113 g, 51%) as a white foam.

후처리

  1. customat room temperature for 4 hours to give a white suspension
  2. custompurified as above

출처 및 근거

ORD 기록
ord-5f83beaa3a854b4cab87006818cab199
출처 데이터셋
uspto-grants-2001_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06258800B1

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트