HRID702718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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

HCID3614350

3,5-DIBROMO-1-METHYLPYRIDIN-2(1H)-ONE

C6H5Br2NO

HCID58043820

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CC1

HCID58043645

5-Bromo-1-methyl-3-[[5-(1-methyl-4-piperidinyl)-2-pyridinyl]amino]-2(1H)-pyridinone

C17H21BrN4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-837107aed6cf4ffa9bf8559130ec30ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:15][c:16]1[c:17](=[O:24])[n:18]([CH3:23])[cH:19][c:20]([Br:22])[cH:21]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][cH:10][c:11]([NH2:14])[n:12][cH:13]2)[CH2:6][CH2:7]1.[Cl:93][CH2:94][Cl:95].[Cs+:29].[Cs+:30].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[O:39]=[C:40]([CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[Pd:37].[Pd:38]>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:16]3[c:17](=[O:24])[n:18]([CH3:23])[cH:19][c:20]([Br:22])[cH:21]3)[n:12][cH:13]2)[CH2:6][CH2:7]1