HRID1123103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2762711

4-Methylpyridine-3-Boronic Acid

C6H8BNO2

结构：COc1cc(OC)c([N+](=O)[O-])c(-n2cc(C)nc2Br)c1

HCID56648492

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：COc1cc(OC)c([N+](=O)[O-])c(-n2cc(C)nc2-c2cnccc2C)c1

HCID57732455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c4e1400fa48439cb16a8d23f9cdb766
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

[Br:1][c:2]1[n:3](-[c:8]2[c:9]([N+:18](=[O:19])[O-:20])[c:10]([O:16][CH3:17])[cH:11][c:12]([O:14][CH3:15])[cH:13]2)[cH:4][c:5]([CH3:7])[n:6]1.[CH3:21][c:22]1[c:23]([B:28]([OH:29])[OH:30])[cH:24][n:25][cH:26][cH:27]1.[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[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)[cH:112][cH:113]1>>[c:2]1(-[c:23]2[c:22]([CH3:21])[cH:27][cH:26][n:25][cH:24]2)[n:3](-[c:8]2[c:9]([N+:18](=[O:19])[O-:20])[c:10]([O:16][CH3:17])[cH:11][c:12]([O:14][CH3:15])[cH:13]2)[cH:4][c:5]([CH3:7])[n:6]1