HRID197591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID2733548

Bis(pinacolato)diboron

C12H24B2O4

HCID57843322

N-(5-Bromo-2-chloropyridin-3-yl)benzenesulfonamide

C11H8BrClN2O2S

HCID58255750

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：Cc1nc(C(=O)Nc2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc3[nH]ncc23)cs1

HCID44540130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2595588d13d49598a480f1cb54e97ae
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][c:4]([NH:11][C:12](=[O:13])[c:14]2[n:15][c:16]([CH3:19])[s:17][cH:18]2)[c:5]2[cH:6][n:7][nH:8][c:9]2[cH:10]1.[Br:43][c:44]1[cH:45][c:46]([NH:51][S:52](=[O:53])(=[O:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:47]([Cl:50])[n:48][cH:49]1.[C:61](=[O:62])([OH:63])[O-:64].[CH3:21][C:22](=[O:23])[O-:24].[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[O:42]1.[CH3:66][OH:67].[K+:20].[Na+:65].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([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)[P:112]([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)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[c:2]1(-[c:44]2[cH:45][c:46]([NH:51][S:52](=[O:53])(=[O:54])[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[c:47]([Cl:50])[n:48][cH:49]2)[cH:3][c:4]([NH:11][C:12](=[O:13])[c:14]2[n:15][c:16]([CH3:19])[s:17][cH:18]2)[c:5]2[cH:6][n:7][nH:8][c:9]2[cH:10]1