HRID320631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12025

2-Pyrrolidinone

C4H7NO

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

HCID10330944

2-Bromo-5-chlorobenzonitrile

C7H3BrClN

PRODUCTS

生成物

HCID66877664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4da2415347a5420e97c2159ba019d9b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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