HRID307553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：COC(Cn1cc(Br)c(=O)c(OCc2ccccc2)c1C(=O)NCc1cccc(Cl)c1)OC

HCID58859131

3-Benzyloxy-5-bromo-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid 3-chlorobenzylamide

C24H24BrClN2O5

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：COC(Cn1cc(-c2ccccc2)c(=O)c(OCc2ccccc2)c1C(=O)NCc1cccc(Cl)c1)OC

HCID58859141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a3f51509eb74590b6d932ba5a1df0b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:49]([CH2:50][O:51][CH3:52])[O:53][CH3:54].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10]([CH2:25][CH:26]([O:27][CH3:28])[O:29][CH3:30])[cH:11][c:12]([Br:24])[c:13](=[O:23])[c:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:31][cH:32][cH:33]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH:34][B:35]([OH:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10]([CH2:25][CH:26]([O:27][CH3:28])[O:29][CH3:30])[cH:11][c:12](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:13](=[O:23])[c:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:31][cH:32][cH:33]1