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

Ethanol → Ethyl 4-methyl-2-prop-1-enyl-7-(trifluoromethyl)quinoline-3-carboxylate

HRID 145440
노트
인쇄 미리보기

반응식

HRID 145440 반응식
[C:1](=[O:2])([O-:3])[O-:4].[CH2:125]([OH:126])[CH3:127].[CH2:7]([CH3:8])[O:9][C:10](=[O:11])[c:12]1[c:13]([O:27][S:28]([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34])[n:14][c:15]2[cH:16][c:17]([C:23]([F:24])([F:25])[F:26])[cH:18][cH:19][c:20]2[c:21]1[CH3:22].[CH:35](=[CH:36][CH3:37])[B:38]([OH:39])[OH:40].[Cs+:5].[Cs+:6].[c:118]1([CH3:119])[cH:120][cH:121][cH:122][cH:123][cH:124]1.[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[CH2:7]([CH3:8])[O:9][C:10](=[O:11])[c:12]1[c:13]([CH:35]=[CH:36][CH3:37])[n:14][c:15]2[cH:16][c:17]([C:23]([F:24])([F:25])[F:26])[cH:18][cH:19][c:20]2[c:21]1[CH3:22]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 236540Prop-1-enylboronic acidHCID 866626824-Methyl-7-(trifluoromethyl)-2-(trifluoromethylsulfonyl-oxy)quinoline-3-carboxylic acid ethyl ester
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 66583794Ethyl 4-methyl-2-prop-1-enyl-7-(trifluoromethyl)quinoline-3-carboxylate

출처 및 근거

ORD 기록
ord-baa905c722734f2a8bface8ab04ec6cd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트