HRID1550162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11457

Benzene, 1-bromo-3-nitro-

C6H4BrNO2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

HCID22647900

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC2CC1CN2c1cccc([N+](=O)[O-])c1

HCID76676021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d2f58df7d9c40b79af8de7fc126a5b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:47][c:48]1[cH:49][c:50]([N+:54](=[O:55])[O-:56])[cH:51][cH:52][cH:53]1.[CH3:69][C:70]([CH3:71])([O-:72])[CH3:73].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:59]([CH3:60])([CH3:61])[N:62]1[CH:63]2[CH2:64][NH:65][CH:66]([CH2:67]1)[CH2:68]2.[ClH:57].[ClH:58].[Na+:74].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89].[cH:1]1[cH:2][cH:3][c:4]([P:5]([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[c:15]2-[c:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[cH:23][cH:24][c:25]2[P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[c:48]1([N:65]2[CH2:64][CH:63]3[N:62]([CH:59]([CH3:60])[CH3:61])[CH2:67][CH:66]2[CH2:68]3)[cH:49][c:50]([N+:54](=[O:55])[O-:56])[cH:51][cH:52][cH:53]1