HRID1217002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID4374262

2-hydroxymethylphenylboronic acid

C7H9BO3

HCID11218089

6-Chloro-2-(methylamino)-3-nitrobenzonitrile

C8H6ClN3O2

PRODUCTS

生成物

结构：CNc1c([N+](=O)[O-])ccc(-c2ccccc2CO)c1C#N

HCID59218674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4efbe83e50c4ecb96f0f2aa9bc9639a
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

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