HRID948547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7812

4-Chloroaniline

C6H6ClN

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID59570670

未命名化合物

PRODUCTS

生成物

结构：COCc1ncc(-n2nc(C)cc2C)nc1Nc1ccc(Cl)cc1

HCID25230563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfc0e1f1b51d4b06a7e0e391d90df2ca
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

[C:26](=[O:27])([O-:28])[O-:29].[Cl:1][c:2]1[c:3]([CH2:15][O:16][CH3:17])[n:4][cH:5][c:6](-[n:8]2[n:9][c:10]([CH3:14])[cH:11][c:12]2[CH3:13])[n:7]1.[Cs+:30].[Cs+:31].[NH2:18][c:19]1[cH:20][cH:21][c:22]([Cl:23])[cH:24][cH:25]1.[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[O:40]=[C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[Pd:38].[Pd:39]>>[c:2]1([NH:18][c:19]2[cH:20][cH:21][c:22]([Cl:23])[cH:24][cH:25]2)[c:3]([CH2:15][O:16][CH3:17])[n:4][cH:5][c:6](-[n:8]2[n:9][c:10]([CH3:14])[cH:11][c:12]2[CH3:13])[n:7]1