HRID702068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

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

HCID736793

5-bromonicotinonitrile

C6H3BrN2

HCID4574913

未命名化合物

HCID43810892

tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate

C11H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CCN(c3cncc(C#N)c3)CC21

HCID178451502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05eeeb72e1bb45ebac7cae5acbfcdba1
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

[C:16](#[N:17])[c:18]1[cH:19][n:20][cH:21][c:22]([Br:24])[cH:23]1.[CH3:71][C:72]([CH3:73])([O-:74])[CH3:75].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[CH:1]12[CH2:2][NH:3][CH2:4][CH2:5][CH:6]1[CH2:7][N:8]2[C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15].[Na+:76].[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:122]=[C:123]([CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1)[CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]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.[Pd:84].[Pd:85].[cH:25]1[cH:26][cH:27][c:28]([P:29]([c:30]2[cH:31][cH:32][c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[c:39]2-[c:40]2[c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][c:49]2[P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70]1>>[CH:1]12[CH2:2][N:3]([c:22]3[cH:21][n:20][cH:19][c:18]([C:16]#[N:17])[cH:23]3)[CH2:4][CH2:5][CH:6]1[CH2:7][N:8]2[C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15]