HRID1150500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID2735287

3-tert-Butyl-1-methyl-1H-pyrazol-5-amine

C8H15N3

HCID2776849

Methyl 2-bromo-5-methoxybenzoate

C9H9BrO3

PRODUCTS

产物

反应SMILES：COC(=O)c1cc(OC)ccc1Nc1cc(C(C)(C)C)nn1C

HCID58958588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c5125e46af1d4888acf02b7e538b7164
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br:12][c:13]1[c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[Cs+:29].[Cs+:30].[NH2:1][c:2]1[cH:3][c:4]([C:8]([CH3:9])([CH3:10])[CH3:11])[n:5][n:6]1[CH3:7].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:77].[Pd:78].[cH:31]1[cH:32][cH:33][c:34]([P:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1>>[NH:1]([c:2]1[cH:3][c:4]([C:8]([CH3:9])([CH3:10])[CH3:11])[n:5][n:6]1[CH3:7])[c:13]1[c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]1