HRID944682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID4574913

未命名化合物

HCID17479737

未命名化合物

结构：CC(C)C1=CC(C(C)C)=C(c2ccccc2)C(C(C)C)(P(C2CCCCC2)C2CCCCC2)C1

HCID67285932

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc3c(N4CCCC4)ncnc3c2)CC1

HCID59746514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b56f38f6bad49238216fc25552c770d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:133][CH2:134][O:135][C:136](=[O:137])[CH3:138].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH:115](=[CH:116][C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)=[O:126])[c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[CH:79](=[CH:80][C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)=[O:90])[c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[CH:7]1([P:8]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[C:15]2([CH:16]([CH3:17])[CH3:18])[CH2:19][C:20]([CH:21]([CH3:22])[CH3:23])=[CH:24][C:25]([CH:26]([CH3:27])[CH3:28])=[C:29]2[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[CH:97](=[CH:98][C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)=[O:108])[c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Cl:41][c:42]1[cH:43][cH:44][c:45]2[c:46]([N:52]3[CH2:53][CH2:54][CH2:55][CH2:56]3)[n:47][cH:48][n:49][c:50]2[cH:51]1.[K+:6].[N:57]1([C:63](=[O:64])[O:65][C:66]([CH3:67])([CH3:68])[CH3:69])[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]1.[OH2:139].[Pd:77].[Pd:78]>>[c:42]1([N:60]2[CH2:59][CH2:58][N:57]([C:63](=[O:64])[O:65][C:66]([CH3:67])([CH3:68])[CH3:69])[CH2:62][CH2:61]2)[cH:43][cH:44][c:45]2[c:46]([N:52]3[CH2:53][CH2:54][CH2:55][CH2:56]3)[n:47][cH:48][n:49][c:50]2[cH:51]1