HRID159669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2757673

5-Chloro-2-methylbenzylamine

C8H10ClN

HCID53308487

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Cl)cc1CNc1ccc2c(=O)[nH]nc(Cl)c2c1

HCID24946162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbb0c2f50a24485d9fdbbe6e518a960a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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.[CH3:24][CH2:25][O:26][C:27]([CH3:28])=[O:29].[Cl:14][c:15]1[cH:16][cH:17][c:18]([CH3:23])[c:19]([CH2:20][NH2:21])[cH:22]1.[O:32]=[C:33]([CH:34]=[CH:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[O:50]=[C:51]([CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Pd:30].[Pd:31]>>[c:2]1([NH:21][CH2:20][c:19]2[c:18]([CH3:23])[cH:17][cH:16][c:15]([Cl:14])[cH:22]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