HRID2312718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID349115

5-Bromothiophene-2-carboxylic acid

C5H3BrO2S

结构：COc1c(B2OC(C)(C)C(C)(C)O2)cccc1[N+](=O)[O-]

HCID57483800

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：COc1c(-c2ccc(C(=O)O)s2)cccc1[N+](=O)[O-]

HCID57483812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c15aebed1cd942b58f2ff03c2ec1e63e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:21][c:22]1[cH:23][cH:24][c:25]([C:27](=[O:28])[OH:29])[s:26]1.[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[CH3:1][O:2][c:3]1[c:4]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:5][cH:6][cH:7][c:8]1[N+:9](=[O:10])[O-:11].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:42].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([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)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([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)[cH:118][cH:119]1>>[CH3:1][O:2][c:3]1[c:4](-[c:22]2[cH:23][cH:24][c:25]([C:27](=[O:28])[OH:29])[s:26]2)[cH:5][cH:6][cH:7][c:8]1[N+:9](=[O:10])[O-:11]