HRID686974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

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

HCID2734217

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

C26H36NP

HCID11275627

2-amino-6-chloro-3-nitro-benzonitrile

C7H4ClN3O2

PRODUCTS

生成物

结构：COc1ccccc1-c1ccc([N+](=O)[O-])c(N)c1C#N

HCID25241802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96f72c8ed9254c36870f0e495ae59600
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:14][O:15][c:16]1[c:17]([B:22]([OH:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[CH:33]1([P:34]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2-[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[N:53]([CH3:54])[CH3:55])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[K+:30].[K+:31].[K+:32].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([Cl:13])[cH:7][cH:8][c:9]1[N+:10](=[O:11])[O-:12].[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[P:25]([O-:26])([O-:27])([O-:28])=[O:29].[Pd:67].[Pd:68]>>[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6](-[c:17]2[c:16]([O:15][CH3:14])[cH:21][cH:20][cH:19][cH:18]2)[cH:7][cH:8][c:9]1[N+:10](=[O:11])[O-:12]