HRID106938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID9904643

未命名化合物

结构：O=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2Br)cc1

HCID19935790

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：CCc1cc(OCc2ccc(-c3ccccc3-c3nnnn3-c3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2n1

HCID19935784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77ecf6cf8453412f87e75139bf17f4cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:7][c:8]1[c:9](-[c:14]2[n:15][n:16][n:17][n:18]2-[c:19]2[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]2)[cH:10][cH:11][cH:12][cH:13]1.[C:1](=[O:2])([O-:3])[O-:4].[CH2:30]([CH3:31])[c:32]1[n:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[c:40]([O:42][CH2:43][c:44]2[cH:45][cH:46][c:47]([B:50]([OH:51])[OH:52])[cH:48][cH:49]2)[cH:41]1.[CH3:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[CH3:137][OH:138].[ClH:29].[K+:5].[K+:6].[OH2:28].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:8]1(-[c:47]2[cH:46][cH:45][c:44]([CH2:43][O:42][c:40]3[c:39]4[c:34]([n:33][c:32]([CH2:30][CH3:31])[cH:41]3)[cH:35][cH:36][cH:37][cH:38]4)[cH:49][cH:48]2)[c:9](-[c:14]2[n:15][n:16][n:17][n:18]2-[c:19]2[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]2)[cH:10][cH:11][cH:12][cH:13]1