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

Sodium Ion → Tert-butyl 4-(isoquinolin-4-yl)-2-nitrobenzoate

HRID 172512
노트
인쇄 미리보기

반응식

HRID 172512 반응식
[Br:26][c:27]1[cH:28][c:29]([N+:40](=[O:41])[O-:42])[c:30]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:38][cH:39]1.[CH3:7][C:8]1([CH3:9])[C:10]([CH3:11])([CH3:12])[O:13][B:14]([c:15]2[cH:16][n:17][cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[O:25]1.[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[CH3:91][O:92][CH2:93][CH2:94][O:95][CH3:96].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:84].[Pd:43]([Cl:44])[Cl:45].[c:46]1([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)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([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)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[c:15]1(-[c:27]2[cH:28][c:29]([N+:40](=[O:41])[O-:42])[c:30]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:38][cH:39]2)[cH:16][n:17][cH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]12
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 923Sodium Ion2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2회HCID 19660Carbonate IonHCID 24290Palladium Chloride
HCID 2760594
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
HCID 26369829tert-Butyl 4-bromo-2-nitrobenzoate

생성물 1

HCID 58508799Tert-butyl 4-(isoquinolin-4-yl)-2-nitrobenzoate

출처 및 근거

ORD 기록
ord-2cae067679d4450bb894fd3e3934941b
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