HRID316188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID15634713

1-Benzyl-1,7-diazaspiro[4.4]nonane

C14H20N2

HCID23263592

3-Bromo-5-phenoxypyridine

C11H8BrNO

PRODUCTS

生成物

结构：c1ccc(CN2CCCC23CCN(c2cncc(Oc4ccccc4)c2)C3)cc1

HCID22291205

1-Benzyl-7-(5-phenoxypyridin-3-yl)-1,7-diazaspiro[4.4]nonane

C25H27N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68fa4a5e96d9481a956feeb5b71cd151
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:17][c:18]1[cH:19][n:20][cH:21][c:22]([O:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:23]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][CH2:11][C:12]12[CH2:13][NH:14][CH2:15][CH2:16]2.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[K+:36].[O:46]=[C:47]([CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Pd:44].[Pd:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][CH2:11][C:12]12[CH2:13][N:14]([c:18]1[cH:19][n:20][cH:21][c:22]([O:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:23]1)[CH2:15][CH2:16]2