HRID205223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7973

2-Bromopyridine

C5H4BrN

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31090

Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

C11H13NO3

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

PRODUCTS

生成物

HCID86614015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e09b88cff6564e178fcc7cbb7e8c741a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:7][c:8]1[cH:9][cH:10][cH:11][cH:12][n:13]1.[C:1](=[O:2])([O-:3])[O-:4].[CH:38](=[CH:39][C:40]([CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)=[O:49])[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH:56](=[CH:57][C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)=[O:67])[c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH:74](=[CH:75][C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)=[O:85])[c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Cs+:5].[Cs+:6].[O:14]1[c:15]2[c:16]([cH:25][cH:26][cH:27][cH:28]2)[NH:17][CH2:18][CH:19]1[C:20](=[O:21])[O:22][CH2:23][CH3:24].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[OH2:35].[Pd:36].[Pd:37]>>[c:8]1([N:17]2[c:16]3[c:15]([cH:28][cH:27][cH:26][cH:25]3)[O:14][CH:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:18]2)[cH:9][cH:10][cH:11][cH:12][n:13]1