HRID1223992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID22031226

Methyl 4-bromo-2-methylbenzoate

C9H9BrO2

PRODUCTS

生成物

HCID59020660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c0e47bcc3344c35b9f800c673bbbce0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:49][c:50]1[cH:51][c:52]([CH3:60])[c:53]([C:54](=[O:55])[O:56][CH3:57])[cH:58][cH:59]1.[CH3:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[CH:15]1([P:16]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][c:35]([CH:36]([CH3:37])[CH3:38])[cH:39][c:40]2[CH:41]([CH3:42])[CH3:43])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[CH:1]1([B:4]([OH:5])[OH:6])[CH2:2][CH2:3]1.[K+:12].[K+:13].[K+:14].[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[OH2:117].[P:7]([O-:8])([O-:9])([O-:10])=[O:11].[Pd:61].[Pd:62]>>[CH:1]1([c:50]2[cH:51][c:52]([CH3:60])[c:53]([C:54](=[O:55])[O:56][CH3:57])[cH:58][cH:59]2)[CH2:2][CH2:3]1