HRID136192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

3 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cc(Br)cc2cnccc12

HCID58816140

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：CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cc(-c2ccccc2)cc2cnccc12

HCID69275032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a762d2aaa69c47de9e749639befc9adf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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