HRID1205754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID947

Nitrogen

HCID31275

1,4-Dioxane

C4H8O2

结构：Cn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68741729

未命名化合物

结构：C[Si](C)(C)c1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1

HCID68999220

4-Bromo-1-(phenylsulfonyl)-2-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine

C16H17BrN2O2SSi

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：Cn1cc(-c2ccnc3c2cc([Si](C)(C)C)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68997290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-645b5b3f9dee41929d1307edb40fe8cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:9]([Si:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]2.[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:24][n:25]1[n:26][c:27](-[c:39]2[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]2)[c:28]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:29]1.[N:48]#[N:49].[Na+:60].[O-:56][C:57]([OH:58])=[O:59].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([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)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([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)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[c:2]1(-[c:28]2[c:27](-[c:39]3[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]3)[n:26][n:25]([CH3:24])[cH:29]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:9]([Si:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]2