HRID185509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID46737998

Ethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

C16H23BO4

HCID56604559

5-(4-Bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid

C11H8BrNO3

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(-c2ccc(-c3onc(C)c3C(=O)O)cc2)cc1

HCID58539569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77185882aaad4c99a3e304466658f928
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][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[OH:16])[c:10]([CH3:13])[n:11][o:12]2)[cH:6][cH:7]1.[C:38](=[O:39])([OH:40])[O-:41].[CH2:17]([CH3:18])[O:19][C:20]([CH2:21][c:22]1[cH:23][cH:24][c:25]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:26][cH:27]1)=[O:37].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[Na+:42].[OH2:49].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)([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)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([CH2:21][C:20]([O:19][CH2:17][CH3:18])=[O:37])[cH:27][cH:26]2)[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[OH:16])[c:10]([CH3:13])[n:11][o:12]2)[cH:6][cH:7]1