HRID947420

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

HCID2756916

4-Bromo-2,6-difluorobenzonitrile

C7H2BrF2N

HCID55299893

未命名化合物

PRODUCTS

生成物

结构：CC1C(=O)C(C)(C)C(=O)N1c1cc(F)c(C#N)c(F)c1

HCID59556951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac7febcf377641648a37bc78dcc0aa1b
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:1][c:2]1[cH:3][c:4]([F:11])[c:5]([C:6]#[N:7])[c:8]([F:10])[cH:9]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:12][C:13]1([CH3:21])[C:14](=[O:20])[NH:15][CH:16]([CH3:19])[C:17]1=[O:18].[Cs+:26].[Cs+:27].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:70].[Pd:71].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[c:37]3[c:61]([cH:62][cH:63][cH:64]2)[C:58]([CH3:59])([CH3:60])[c:40]2[c:39]([c:44]([P:45]([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:43][cH:42][cH:41]2)[O:38]3)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[c:2]1([N:15]2[C:14](=[O:20])[C:13]([CH3:12])([CH3:21])[C:17](=[O:18])[CH:16]2[CH3:19])[cH:3][c:4]([F:11])[c:5]([C:6]#[N:7])[c:8]([F:10])[cH:9]1