HRID99315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID22273643

4-Bromo-1H-pyrrolo[2,3-b]pyridine

C7H5BrN2

结构：CCn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68995348

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：CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68995178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34b7176c3db54550a3dc30ddeb1a5006
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:26][c:27]1[c:28]2[c:29]([n:30][cH:31][cH:32]1)[nH:33][cH:34][cH:35]2.[C:36](=[O:37])([O-:38])[O-:39].[CH2:119]1[O:120][CH2:121][CH2:122][O:123][CH2:124]1.[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:17]2[cH:18][cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]2)[c:6]([B:8]2[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]2)[cH:7]1.[K+:40].[K+:41].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([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)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:17]2[cH:18][cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]2)[c:6](-[c:27]2[c:28]3[c:29]([n:30][cH:31][cH:32]2)[nH:33][cH:34][cH:35]3)[cH:7]1