HRID1205168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

反应SMILES：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID806422

1-Allylpiperazine

C7H14N2

HCID817620

5-Bromo-2-nitropyridine

C5H3BrN2O2

PRODUCTS

产物

反应SMILES：C=CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1

HCID69146057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-94e0662dd06041f1a6511707a2182256
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:62][c:63]1[cH:64][cH:65][c:66]([N+:69](=[O:70])[O-:71])[n:67][cH:68]1.[C:56](=[O:57])([O-:58])[O-:59].[CH2:1]([CH:2]=[CH2:3])[N:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1.[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH:101](=[CH:102][C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)=[O:112])[c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[CH:119](=[CH:120][C:121]([CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1)=[O:130])[c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[CH:83](=[CH:84][C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)=[O:94])[c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Cl-:72].[Cs+:60].[Cs+:61].[NH4+:73].[Pd:81].[Pd:82].[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][c:21]3[c:22]([cH:23][cH:24][cH:25][cH:26]3)[c:27]2-[c:28]2[c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[cH:35][cH:36][c:37]2[P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH2:1]([CH:2]=[CH2:3])[N:4]1[CH2:5][CH2:6][N:7]([c:63]2[cH:64][cH:65][c:66]([N+:69](=[O:70])[O-:71])[n:67][cH:68]2)[CH2:8][CH2:9]1