HRID182818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID23005362

(5-Chloro-2-hydroxyphenyl)boronic acid

C6H6BClO3

HCID66652794

未命名化合物

HCID66653152

未命名化合物

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：O=[N+]([O-])c1nn(C2CCCCO2)cc1-c1cc(Cl)ccc1O

HCID59436630

4-Chloro-2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]phenol

C14H14ClN3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff298f036e2a4753b69e31c8d2744e84
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]([N+:24](=[O:25])[O-:26])[n:15][n:16]([CH:18]2[O:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:17]1.[Br:27][c:28]1[cH:29][n:30][n:31]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][O:37]2)[c:38]1[N+:39]([O-:40])=[O:41].[C:48](=[O:49])([O-:50])[O-:51].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:11])[c:6]([B:8]([OH:9])[OH:10])[cH:7]1.[K+:52].[K+:53].[OH2:54].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:11])[c:6](-[c:13]2[c:14]([N+:24](=[O:25])[O-:26])[n:15][n:16]([CH:18]3[O:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:17]2)[cH:7]1