HRID2320646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID292189

2-Formylphenylboronic acid

C7H7BO3

HCID573280

4-Bromo-3-fluorotoluene

C7H6BrF

PRODUCTS

生成物

HCID18357654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3d375540a924993b20b9eef701f0ae3
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:1][c:2]1[c:3]([F:9])[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[CH2:27]([OH:28])[CH3:29].[CH2:37]([Cl:38])[Cl:39].[CH:10](=[O:11])[c:12]1[c:13]([B:18]([OH:19])[OH:20])[cH:14][cH:15][cH:16][cH:17]1.[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[Pd:40].[c:30]1([CH3:31])[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:2]1(-[c:13]2[c:12]([CH:10]=[O:11])[cH:17][cH:16][cH:15][cH:14]2)[c:3]([F:9])[cH:4][c:5]([CH3:8])[cH:6][cH:7]1