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

Diethyl Ether → (+/-)-tert-Butyl 4-((1-(3-bromo-5-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-7-yl)ethoxy)methyl)-4-(4-fluorophenyl)piperidine-1-carboxylate

HRID 1118173
노트
인쇄 미리보기

반응식

HRID 1118173 반응식
[B:56]([F:57])([OH:58])[OH:59].[B:60]([F:61])([OH:62])[OH:63].[B:64]([F:65])([OH:66])[OH:67].[B:68]([F:69])([OH:70])[OH:71].[CH2:51]([O:52][CH2:53][CH3:54])[CH3:55].[CH2:72]1[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]1.[Cl:1][C:2]([Cl:3])([Cl:26])[C:27]([O:4][CH:5]([CH3:6])[c:7]1[cH:8][c:9]([Cl:25])[cH:10][c:11]2[c:12]([Br:24])[n:13][n:14]([CH2:16][O:17][CH2:18][CH2:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[c:15]12)=[NH:28].[Cl:78][CH2:79][Cl:80].[F:29][c:30]1[cH:31][cH:32][c:33]([C:36]2([CH2:49][OH:50])[CH2:37][CH2:38][N:39]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:40][CH2:41]2)[cH:34][cH:35]1>>[O:4]([CH:5]([CH3:6])[c:7]1[cH:8][c:9]([Cl:25])[cH:10][c:11]2[c:12]([Br:24])[n:13][n:14]([CH2:16][O:17][CH2:18][CH2:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[c:15]12)[CH2:49][C:36]1([c:33]2[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]2)[CH2:37][CH2:38][N:39]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:40][CH2:41]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 8078CyclohexaneHCID 14595563Fluoroboronic acid4회HCID 19084679Tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylateHCID 57546223(+/-)-1-(3-Bromo-5-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-7-yl)ethyl 2,2,2-trichloroacetimidate

생성물

1
HCID 57546087(+/-)-tert-Butyl 4-((1-(3-bromo-5-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-7-yl)ethoxy)methyl)-4-(4-fluorophenyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-ec3c93e2367e4ed28af7cd64b26ce709
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트