HRID88213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)Cc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1

HCID58120060

[4-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid ethyl ester

C17H25BO5

结构：Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OC(C)c1ccccc1Cl

HCID67350786

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)Cc1ccc(OC)c(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3Cl)cc2)c1

HCID67351947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6c9606b587f42a4adecad8ef90cba49
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

[C:50](=[O:51])([O-:52])[O-:53].[CH2:27]([CH3:28])[O:29][C:30]([CH2:31][c:32]1[cH:33][c:34]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[c:35]([O:38][CH3:39])[cH:36][cH:37]1)=[O:49].[CH3:57][O:58][CH2:59][CH2:60][O:61][CH3:62].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:25])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21]([Br:24])[cH:22][cH:23]2)=[O:26])[cH:4][cH:5][cH:6][cH:7]1.[K+:54].[K+:55].[OH2:56].[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([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)([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)([c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]1>>[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:25])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21](-[c:34]3[cH:33][c:32]([CH2:31][C:30]([O:29][CH2:27][CH3:28])=[O:49])[cH:37][cH:36][c:35]3[O:38][CH3:39])[cH:22][cH:23]2)=[O:26])[cH:4][cH:5][cH:6][cH:7]1