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

Ethanol → 3-(3,5-Difluoropyridin-2-yl)-4-methylaniline

HRID 101954
노트
인쇄 미리보기

반응식

HRID 101954 반응식
[C:34](=[O:35])([O-:36])[O-:37].[CH3:10][c:11]1[c:12]([B:18]2[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]2)[cH:13][c:14]([NH2:15])[cH:16][cH:17]1.[CH3:123][CH2:124][OH:125].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:1][c:2]1[n:3][cH:4][c:5]([F:9])[cH:6][c:7]1[F:8].[Na+:38].[Na+:39].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1(-[c:12]2[c:11]([CH3:10])[cH:17][cH:16][c:14]([NH2:15])[cH:13]2)[n:3][cH:4][c:5]([F:9])[cH:6][c:7]1[F:8]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 702EthanolHCID 923Sodium Ion2회HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 160860894-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineHCID 450795602-Chloro-3,5-difluoropyridine
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 583179983-(3,5-Difluoropyridin-2-yl)-4-methylaniline

출처 및 근거

ORD 기록
ord-17e159c3584b47ef8a653147c7bd2acb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트