HRID1559826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7761

Diethyl propanedioate

C7H12O4

HCID8058

n-Hexane

C6H14

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID2776578

5-Bromo-1-benzothiophene

C8H5BrS

PRODUCTS

生成物

HCID57615034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f10947526b4342159c40e1a2ada08934
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:26][c:27]1[cH:28][cH:29][c:30]2[c:31]([cH:32][cH:33][s:34]2)[cH:35]1.[C:20](=[O:21])([O-:22])[O-:23].[C:36]([CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])(=[O:43])[O:44][CH2:45][CH3:46].[C:7]([P:8]([C:9]([CH3:10])([CH3:11])[CH3:12])[C:13]([CH3:14])([CH3:15])[CH3:16])([CH3:17])([CH3:18])[CH3:19].[CH3:104][CH2:105][O:106][C:107](=[O:108])[CH3:109].[CH3:111][O:112][CH2:113][CH2:114][O:115][CH3:116].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[ClH:47].[Cs+:24].[Cs+:25].[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.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[OH2:110].[Pd:48].[Pd:49]>>[c:27]1([CH:37]([C:36](=[O:43])[O:44][CH2:45][CH3:46])[C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:28][cH:29][c:30]2[c:31]([cH:32][cH:33][s:34]2)[cH:35]1