HRID118135

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

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

HCID7010420

4-Bromo-2-chlorobenzonitrile

C7H3BrClN

PRODUCTS

生成物

HCID57516484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6de70d30a1584bc995195b3afdc5b610
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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