HRID805819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID2773552

4-Nitrophenylboronic acid

C6H6BNO4

HCID4715017

Ethyl 3-bromo-1H-indole-2-carboxylate

C11H10BrNO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1[nH]c2ccccc2c1-c1ccc([N+](=O)[O-])cc1

HCID12404967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-088c7172374d40fbb6f87bbfe120f854
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:9][c:10]1[c:11]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[nH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12.[CH3:36][CH2:37][OH:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl-:8].[Li+:7].[N+:24](=[O:25])([O-:26])[c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[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:10]1(-[c:30]2[cH:29][cH:28][c:27]([N+:24](=[O:25])[O-:26])[cH:32][cH:31]2)[c:11]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[nH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]12