HRID949967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID142929

Benzene, 1-bromo-3-methyl-2-nitro-

C7H6BrNO2

HCID271299

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

C7H11N3O2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(C)c1Nc1cccc(C)c1[N+](=O)[O-]

HCID57555339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4071f02dd0e4a5ab8b57c4f717eb8bb
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:61][c:62]1[c:63]([N+:69](=[O:70])[O-:71])[c:64]([CH3:68])[cH:65][cH:66][cH:67]1.[C:1](=[O:2])([O-:3])[O-:4].[Cs+:5].[Cs+:6].[NH2:49][c:50]1[c:51]([C:56](=[O:57])[O:58][CH2:59][CH3:60])[cH:52][n:53][n:54]1[CH3:55].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:78].[Pd:79].[c:7]1([P:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[c:16]3[c:40]([cH:41][cH:42][cH:43]2)[C:37]([CH3:38])([CH3:39])[c:19]2[c:18]([c:23]([P:24]([c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:22][cH:21][cH:20]2)[O:17]3)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[NH:49]([c:50]1[c:51]([C:56](=[O:57])[O:58][CH2:59][CH3:60])[cH:52][n:53][n:54]1[CH3:55])[c:62]1[c:63]([N+:69](=[O:70])[O-:71])[c:64]([CH3:68])[cH:65][cH:66][cH:67]1