HRID303898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734320

4-tert-Butylphenylboronic acid

C10H15BO2

结构：CCOC(=O)c1c(Br)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1

HCID69231351

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：CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1

HCID69231128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98bb81c241584e1dbedf1c9295c4958d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:10]([Br:20])[c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][c:16]12.[CH3:45][CH2:46][OH:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[ClH:55].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([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)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([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)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([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)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:10](-[c:33]2[cH:32][cH:31][c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:35][cH:34]2)[c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][c:16]12