HRID2328376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

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

C17H14O

3 次

HCID136751

3-(Trifluoromethyl)thiophenol

C7H5F3S

HCID143517

4-Bromo-2-fluorobenzaldehyde

C7H4BrFO

PRODUCTS

生成物

HCID58022601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8de23f041f99440ab744aaa1da917199
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:21][c:22]1[cH:23][c:24]([F:30])[c:25]([CH:26]=[O:27])[cH:28][cH:29]1.[CH2:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH:6]([CH3:7])[CH3:8])[CH3:9].[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[CH:94]([Cl:95])([Cl:96])[Cl:97].[F:10][C:11]([c:12]1[cH:13][c:14]([SH:18])[cH:15][cH:16][cH:17]1)([F:19])[F:20].[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.[OH2:31].[Pd:38].[Pd:39]>>[F:10][C:11]([c:12]1[cH:13][c:14]([S:18][c:22]2[cH:23][c:24]([F:30])[c:25]([CH:26]=[O:27])[cH:28][cH:29]2)[cH:15][cH:16][cH:17]1)([F:19])[F:20]