HRID2142390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID68472

3-Bromo-o-xylene

C8H9Br

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID4302175

4-Amino-2-chloro-5-methylpyrimidine

C5H6ClN3

PRODUCTS

生成物

HCID57516494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34b42b23b65b4f72bf48ecba35e89cfd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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