HRID197161

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

HCID12293480

3-Bromo-5-ethoxypyridine

C7H8BrNO

HCID15634713

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

C14H20N2

PRODUCTS

生成物

结构：CCOc1cncc(N2CCC3(CCCN3Cc3ccccc3)C2)c1

HCID22291245

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

C21H27N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-837f024724954041ad04bc1724f67167
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:17][c:18]1[cH:19][n:20][cH:21][c:22]([O:24][CH2:25][CH3:26])[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.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[K+:32].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[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][CH2:25][CH3:26])[cH:23]1)[CH2:15][CH2:16]2