HRID175230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID59216474

4-Bromo-6-chloro-2-methylpyridazin-3(2H)-one

C5H4BrClN2O

HCID66742609

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(Cl)cc(Nc2ccc(N3CCC(C)(O)CC3)cn2)c1=O

HCID66742932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c499b42c79fb4c43906a2b90799b64ee
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:1][c:2]1[c:3](=[O:10])[n:4]([CH3:9])[n:5][c:6]([Cl:8])[cH:7]1.[C:26](=[O:27])([O-:28])[O-:29].[Cs+:30].[Cs+:31].[NH2:11][c:12]1[cH:13][cH:14][c:15]([N:18]2[CH2:19][CH2:20][C:21]([OH:24])([CH3:25])[CH2:22][CH2:23]2)[cH:16][n:17]1.[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[O:40]=[C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[Pd:38].[Pd:39]>>[c:2]1([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][C:21]([OH:24])([CH3:25])[CH2:22][CH2:23]3)[cH:16][n:17]2)[c:3](=[O:10])[n:4]([CH3:9])[n:5][c:6]([Cl:8])[cH:7]1