HRID1555933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)Oc1ccc(-c2nc(-c3cccc4c(Br)cn(C)c34)no2)cc1Cl

HCID59146147

未命名化合物

HCID178500473

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)Cc1cn(C)c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12

HCID178500108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-458385155789474fbdfc51e0b41569f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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