HRID1232325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID605713

methyl 5-bromothiophene-2-carboxylate

C6H5BrO2S

HCID61375112

4-Bromo-1-(2-methylpropoxy)-2-nitrobenzene

C10H12BrNO3

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：COC(=O)c1ccc(-c2ccc(OCC(C)C)c([N+](=O)[O-])c2)s1

HCID66995422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-978d75d930f64eb1898f7fb489cce464
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N+:13](=[O:14])[O-:15])[c:5]([O:8][CH2:9][CH:10]([CH3:11])[CH3:12])[cH:6][cH:7]1.[Br:40][c:41]1[cH:42][cH:43][c:44]([C:46](=[O:47])[O:48][CH3:49])[s:45]1.[CH3:36][C:37](=[O:38])[O-:39].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[K+:35].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1.[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[c:2]1(-[c:41]2[cH:42][cH:43][c:44]([C:46](=[O:47])[O:48][CH3:49])[s:45]2)[cH:3][c:4]([N+:13](=[O:14])[O-:15])[c:5]([O:8][CH2:9][CH:10]([CH3:11])[CH3:12])[cH:6][cH:7]1