HRID1215012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID2737788

4-(Benzyloxy)-3-fluorophenylboronic acid

C13H12BFO3

HCID66316359

5-Bromo-2-(phenylmethyl)-4(3H)-pyrimidinone

C11H9BrN2O

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=c1[nH]c(Cc2ccccc2)ncc1-c1ccc(OCc2ccccc2)c(F)c1

HCID67348735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4f71c75a04e4c70987df65f885d0785
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:42](=[O:43])([O-:44])[O-:45].[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][c:24]1[c:25]([F:33])[cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][cH:10][c:11]([Br:15])[c:12](=[O:14])[nH:13]1.[Cl-:35].[Li+:34].[Na+:46].[Na+:47].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([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)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][cH:10][c:11](-[c:27]2[cH:26][c:25]([F:33])[c:24]([O:23][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:29][cH:28]2)[c:12](=[O:14])[nH:13]1