HRID198588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2760935

1-{3-[(Propan-2-yl)oxy]phenyl}methanamine

C10H15NO

HCID4574913

未命名化合物

HCID53308487

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cccc(CNc2ccc3c(=O)[nH]nc(Cl)c3c2)c1

HCID24948345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-417698dbeacc4c9b8083f1459adcb390
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[cH:3][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[CH3:26][C:27]([CH3:28])([O-:29])[CH3:30].[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[CH:14]([CH3:15])([CH3:16])[O:17][c:18]1[cH:19][c:20]([CH2:24][NH2:25])[cH:21][cH:22][cH:23]1.[Na+:31].[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:25][CH2:24][c:20]2[cH:19][c:18]([O:17][CH:14]([CH3:15])[CH3:16])[cH:23][cH:22][cH:21]2)[cH:3][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1