HRID116728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID84833

2-Chloro-6-fluorobenzylamine

C7H7ClFN

HCID95417

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

C17H14O

3 次

HCID53308487

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]nc(Cl)c2cc(NCc3c(F)cccc3Cl)ccc12

HCID58447269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23336b607b284a4f94e845095d575505
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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[c:16]([CH2:17][NH2:18])[c:19]([F:23])[cH:20][cH: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:18][CH2:17][c:16]2[c:15]([Cl:14])[cH:22][cH:21][cH:20][c:19]2[F:23])[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