HRID125048

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

HCID21942573

Methyl 3-bromo-5-iodobenzoate

C8H6BrIO2

PRODUCTS

生成物

HCID22253055

Methyl 3-bromo-5-(2-oxopyrrolidin-1-yl)benzoate

C12H12BrNO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d256d5e3d434799b40970ff2a65e50e
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

[C:19](=[O:20])([O-:21])[O-:22].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:11])[cH:7][c:8]([I:10])[cH:9]1)=[O:12].[Cs+:23].[Cs+:24].[NH:13]1[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]1.[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]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:11])[cH:7][c:8]([N:13]2[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]2)[cH:9]1)=[O:12]