HRID939665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID597250

2,4-Dimethoxybenzylamine

C9H13NO2

HCID4574913

未命名化合物

HCID15980818

7-Bromo-3-chloro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one

C14H7BrClNO

PRODUCTS

生成物

结构：COc1ccc(CNc2ccc3ccc4ncc(Cl)cc4c(=O)c3c2)c(OC)c1

HCID15980820

3-Chloro-7-[[(2,4-dimethoxyphenyl)methyl]amino]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one

C23H19ClN2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4dc35fc88b14d8e9249fa46d1fe371b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7](=[O:17])[c:8]3[c:9]([n:10][cH:11][c:12]([Cl:14])[cH:13]3)[cH:15][cH:16]2)[cH:18]1.[CH3:19][C:20]([CH3:21])([O-:22])[CH3:23].[CH3:25][O:26][c:27]1[c:28]([CH2:29][NH2:30])[cH:31][cH:32][c:33]([O:35][CH3:36])[cH:34]1.[CH:39](=[CH:40][C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[O:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:57](=[CH:58][C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)=[O:68])[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:75](=[CH:76][C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)=[O:86])[c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[Na+:24].[O:93]1[CH2:94][CH2:95][O:96][CH2:97][CH2:98]1.[Pd:37].[Pd:38]>>[c:2]1([NH:30][CH2:29][c:28]2[c:27]([O:26][CH3:25])[cH:34][c:33]([O:35][CH3:36])[cH:32][cH:31]2)[cH:3][cH:4][c:5]2[c:6]([c:7](=[O:17])[c:8]3[c:9]([n:10][cH:11][c:12]([Cl:14])[cH:13]3)[cH:15][cH:16]2)[cH:18]1