HRID800737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

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

HCID50879192

未命名化合物

HCID59557027

未命名化合物

PRODUCTS

生成物

结构：CCC1C(=O)C(C)(C)C(=O)N1c1ccc(C#N)c(OC)c1

HCID59556897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50d488615bfc4ebaa8e5c6ad2210d3e8
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

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