HRID693555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID611662

Methyl 3-bromo-4-methoxybenzoate

C9H9BrO3

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID23157606

未命名化合物

PRODUCTS

生成物

结构：CCOCCOc1cc(C)c(-c2cc(C(=O)OC)ccc2OC)c(C)c1

HCID23157613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dd734aabf694a8c93cb08b00a3a658e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[O:12][CH3:13].[CH2:14]([CH3:15])[O:16][CH2:17][CH2:18][O:19][c:20]1[cH:21][c:22]([CH3:30])[c:23]([B:27]([OH:28])[OH:29])[c:24]([CH3:26])[cH:25]1.[CH3:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[K+:61].[K+:62].[K+:63].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[Pd:64].[Pd:65]>>[c:2]1(-[c:23]2[c:22]([CH3:30])[cH:21][c:20]([O:19][CH2:18][CH2:17][O:16][CH2:14][CH3:15])[cH:25][c:24]2[CH3:26])[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[O:12][CH3:13]