HRID830498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

结构：COc1ccc(CNc2ccc3c(=O)c(Br)c(C(C)C)oc3c2[N+](=O)[O-])cc1

HCID68703155

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(C)C)oc3c2[N+](=O)[O-])cc1

HCID68702877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3a948b2449245a9b2b479015f5f3520
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:1][c:2]1[c:3]([CH:26]([CH3:27])[CH3:28])[o:4][c:5]2[c:6]([N+:23](=[O:24])[O-:25])[c:7]([NH:13][CH2:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[cH:8][cH:9][c:10]2[c:11]1=[O:12].[CH3:46][CH2:47][OH:48].[Cl:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[OH2:45].[Pd:49].[c:107]1([P:108]([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][cH:123][cH:124][cH:125]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([Cl:29])[cH:35][cH:34]2)[c:3]([CH:26]([CH3:27])[CH3:28])[o:4][c:5]2[c:6]([N+:23](=[O:24])[O-:25])[c:7]([NH:13][CH2:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[cH:8][cH:9][c:10]2[c:11]1=[O:12]