HRID146487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID7164593

2-(2-Thienyl)benzenemethanamine

C11H11NS

HCID53308487

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]nc(Cl)c2cc(NCc3ccccc3-c3cccs3)ccc12

HCID24946344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57b3f3f3bdce47848e7ec87e6407b04c
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.[CH3:28][CH2:29][O:30][C:31]([CH3:32])=[O:33].[ClH:14].[O:36]=[C:37]([CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Pd:34].[Pd:35].[s:15]1[c:16](-[c:20]2[c:21]([CH2:22][NH2:23])[cH:24][cH:25][cH:26][cH:27]2)[cH:17][cH:18][cH:19]1>>[c:2]1([NH:23][CH2:22][c:21]2[c:20](-[c:16]3[s:15][cH:19][cH:18][cH:17]3)[cH:27][cH:26][cH:25][cH:24]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