HRID190881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID591073

4-Formylphenylboronic acid

C7H7BO3

结构：COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cc(Br)cn2)cc1

HCID58432066

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(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cc(-c3ccc(C=O)cc3)cn2)cc1

HCID58432117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af74ce9d907a43dd8a8fca862e03e3f1
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:1][c:2]1[cH:3][n:4][n:5]([C:7]([c:8]2[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]2)([c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[cH:6]1.[CH:32](=[O:33])[c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[K+:43].[K+:44].[O-:45][C:46]([O-:47])=[O:48].[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:37]2[cH:36][cH:35][c:34]([CH:32]=[O:33])[cH:39][cH:38]2)[cH:3][n:4][n:5]([C:7]([c:8]2[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]2)([c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[cH:6]1