HRID302825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID80376

Cyclopropanecarboxamide

C4H7NO

HCID95417

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

C17H14O

3 次

HCID735152

2-Chloro-4-nitropyridine

C5H3ClN2O2

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

HCID2734217

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

C26H36NP

PRODUCTS

生成物

HCID58902368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7fe5f440248428c9ba4c3cc32a8d27c
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

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