HRID827953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8071

未命名化合物

HCID75579

3-Oxobutyronitrile

C4H5NO

HCID2756863

4-Bromo-3-chloroanisole

C7H6BrClO

HCID4574913

未命名化合物

HCID5360545

Sodium

HCID178420554

未命名化合物

PRODUCTS

产物

HCID22178154

2-(2-Chloro-4-methoxyphenyl)-3-oxobutanenitrile

C11H10ClNO2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2fd5ac9c508d48f3b8498e9ecb04eb33
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[Br:1][c:2]1[c:3]([Cl:10])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[C:11](#[N:12])[CH2:13][C:14]([CH3:15])=[O:16].[CH3:18][C:19]([CH3:20])([O-:21])[CH3:22].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:31][O:32][CH2:33][CH2:34][O:35][CH3:36].[Na+:23].[Na:17].[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>>[c:2]1([CH:13]([C:11]#[N:12])[C:14]([CH3:15])=[O:16])[c:3]([Cl:10])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1