HRID152138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID11746402

Methyl 2-(3-bromophenyl)acetate

C9H9BrO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID10751722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-733da45a847442569f358007746040dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:121]([O:122][CH2:123][CH3:124])(=[O:125])[CH3:126].[CH3:114][CH2:115][CH2:116][CH2:117][CH2:118][CH2:119][CH3:120].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([Br:11])[cH:8][cH:9][cH:10]1)=[O:12].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Cl-:28].[NH4+:29].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[c:13]1([B:19]([OH:20])[OH:21])[cH:14][cH:15][cH:16][cH:17][cH:18]1.[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([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]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:8][cH:9][cH:10]1)=[O:12]