HRID316373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

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

HCID11011301

tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate

C15H23N3O2

HCID58015932

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)n1ccc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc21

HCID69075360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e196b1cbc21540f0bbca95a5305077c1
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH2:88]1[O:89][CH2:90][CH2:91][O:92][CH2:93]1.[CH3:21][C:22]([CH3:23])([O-:24])[CH3:25].[Cl:27][c:28]1[n:29][cH:30][c:31]2[c:32]([n:33]1)[n:34]([CH:37]([CH2:38][CH3:39])[CH2:40][CH3:41])[cH:35][cH:36]2.[Na+:26].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:132]=[C:133]([CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1)[CH:142]=[CH:143][c:144]1[cH:145][cH:146][cH:147][cH:148][cH:149]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:94].[Pd:95].[cH:42]1[cH:43][cH:44][c:45]([P:46]([c:47]2[cH:48][cH:49][c:50]3[c:51]([cH:52][cH:53][cH:54][cH:55]3)[c:56]2-[c:57]2[c:58]3[c:59]([cH:60][cH:61][cH:62][cH:63]3)[cH:64][cH:65][c:66]2[P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][c:28]3[n:29][cH:30][c:31]4[c:32]([n:33]3)[n:34]([CH:37]([CH2:38][CH3:39])[CH2:40][CH3:41])[cH:35][cH:36]4)[cH:18][cH:19]2)[CH2:12][CH2:13]1