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

Sodium Ion → 3-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)furo[3,2-b]pyridin-5-yl)-4-methylbenzoic acid

HRID 828590
노트
인쇄 미리보기

반응식

HRID 828590 반응식
[Br:60][c:61]1[cH:62][cH:63][c:64]2[c:65]([n:66]1)[c:67]([C:77](=[O:78])[NH:79][CH3:80])[c:68](-[c:70]1[cH:71][cH:72][c:73]([F:76])[cH:74][cH:75]1)[o:69]2.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][c:42]1[c:43]([B:51]2[O:52][C:53]([CH3:54])([CH3:55])[C:56]([CH3:57])([CH3:58])[O:59]2)[cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([O:17][CH3:18])[cH:19][cH:20][c:21]([S:22]([O-:23])(=[O:24])=[O:25])[c:26]2[O:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[Cs+:39].[Cs+:40].[Na+:34].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH2:86]>>[CH3:41][c:42]1[c:43](-[c:61]2[cH:62][cH:63][c:64]3[c:65]([n:66]2)[c:67]([C:77](=[O:78])[NH:79][CH3:80])[c:68](-[c:70]2[cH:71][cH:72][c:73]([F:76])[cH:74][cH:75]2)[o:69]3)[cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 160860864-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidHCID 592337485-bromo-2-(4-fluorophenyl)-N-methylfuro[3,2-b]pyridine-3-carboxamide
HCID 863145343-(2-Dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate

생성물 1

HCID 672176293-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)furo[3,2-b]pyridin-5-yl)-4-methylbenzoic acid

출처 및 근거

ORD 기록
ord-b0b30c75084f4df0a73d56beb52d642a
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트