HRID178051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID7020599

methyl 3-iodo-5-nitrobenzoate

C8H6INO4

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：COC(=O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1

HCID69687208

Methyl 5-nitro[1,1′-biphenyl]-3-carboxylate

C14H11NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc645d96d76b46ff8b23098d17711f51
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

[CH3:18][O:19][C:20]([c:21]1[cH:22][c:23]([I:30])[cH:24][c:25]([N+:27](=[O:28])[O-:29])[cH:26]1)=[O:31].[Cl-:32].[K+:15].[K+:16].[K+:17].[NH4+:33].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[P:10]([O-:11])([O-:12])([O-:13])=[O:14].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:4]1(-[c:23]2[cH:22][c:21]([C:20]([O:19][CH3:18])=[O:31])[cH:26][c:25]([N+:27](=[O:28])[O-:29])[cH:24]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1