HRID101268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID140785

Ethyl 5-bromonicotinate

C8H8BrNO2

HCID2733548

Bis(pinacolato)diboron

C12H24B2O4

HCID57722613

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：CCOC(=O)c1cncc(-c2cnn3cc(-c4ccc(OC)cc4)cnc23)c1

HCID57722617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46970399f8a24782bebe33749524caea
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:1][c:2]1[cH:3][n:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1.[CH3:13][C:14]1([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19][B:20]([B:21]2[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]2)[O:30]1.[CH3:32][C:33](=[O:34])[O-:35].[I:36][c:37]1[cH:38][n:39][n:40]2[c:41]1[n:42][cH:43][c:44](-[c:46]1[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]1)[cH:45]2.[K+:31].[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59].[O:142]1[CH2:143][CH2:144][O:145][CH2:146][CH2:147]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[c:2]1(-[c:37]2[cH:38][n:39][n:40]3[c:41]2[n:42][cH:43][c:44](-[c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[cH:45]3)[cH:3][n:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1