HRID826064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID170968

Benzene, 1-bromo-4,5-dimethoxy-2-nitro-

C8H8BrNO4

结构：CC1(C)C=C(B2OC(C)(C)C(C)(C)O2)CC(C)(C)C1

HCID23142059

4,4,5,5-Tetramethyl-2-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane

C16H29BO2

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：COc1cc(C2=CC(C)(C)CC(C)(C)C2)c([N+](=O)[O-])cc1OC

HCID23141922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72e81165d62a43c580fb48989193c095
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]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([O:10][CH3:11])[c:6]([O:8][CH3:9])[cH:7]1.[CH3:126][CH2:127][O:128][C:129](=[O:130])[CH3:131].[CH3:15][C:16]1([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21][B:22]([C:23]2=[CH:24][C:25]([CH3:31])([CH3:32])[CH2:26][C:27]([CH3:29])([CH3:30])[CH2:28]2)[O:33]1.[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[K+:39].[K+:40].[K+:41].[OH2:42].[P:34]([O-:35])([O-:36])([O-:37])=[O:38].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[P:93]([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)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1([C:23]2=[CH:24][C:25]([CH3:31])([CH3:32])[CH2:26][C:27]([CH3:29])([CH3:30])[CH2:28]2)[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([O:10][CH3:11])[c:6]([O:8][CH3:9])[cH:7]1