HRID1143842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734368

2-Methoxy-5-pyridineboronic acid

C6H8BNO3

HCID69349998

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：COc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cn1

HCID58966946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b3b7e8618f64e47a6bc30b06a3317e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23]([B:26]([OH:27])[OH:28])[cH:24][n:25]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:1][c:2]1[cH:3][c:4]([F:17])[c:5]([CH2:6][n:7]2[c:8](=[O:14])[cH:9][cH:10][c:11]([Br:13])[cH:12]2)[cH:15][cH:16]1.[K+:40].[K+:41].[K+:42].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[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>>[Cl:1][c:2]1[cH:3][c:4]([F:17])[c:5]([CH2:6][n:7]2[c:8](=[O:14])[cH:9][cH:10][c:11](-[c:23]3[cH:22][cH:21][c:20]([O:19][CH3:18])[n:25][cH:24]3)[cH:12]2)[cH:15][cH:16]1