HRID186817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID617834

Stannane, trimethyl(4-methylphenyl)-

C10H16Sn

HCID7095423

2-bromo-5-nitrobenzonitrile

C7H3BrN2O2

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

结构：Cc1ccc(-c2ccc([N+](=O)[O-])cc2C#N)cc1

HCID19012206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0231a2c3172c42ab8799ebf3af0dc4ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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