HRID676116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID519239

未命名化合物

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

HCID59198492

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1ncc(C#N)c2[nH]c3ccc(F)cc3c12)C1CC1

HCID59543162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e92636228c9d46aaa2f5e5d96261cf2c
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

[CH3:70][C:71]([CH3:72])([O-:73])[CH3:74].[CH:18]1([CH:21]([CH3:22])[NH2:23])[CH2:19][CH2:20]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:16]#[N:17])[c:6]2[nH:7][c:8]3[cH:9][cH:10][c:11]([F:15])[cH:12][c:13]3[c:14]12.[Na+:75].[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:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]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:76].[Pd:77].[cH:24]1[cH:25][cH:26][c:27]([P:28]([c:29]2[cH:30][cH:31][c:32]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)[c:38]2-[c:39]2[c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[cH:46][cH:47][c:48]2[P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69]1>>[c:2]1([NH:23][CH:21]([CH:18]2[CH2:19][CH2:20]2)[CH3:22])[n:3][cH:4][c:5]([C:16]#[N:17])[c:6]2[nH:7][c:8]3[cH:9][cH:10][c:11]([F:15])[cH:12][c:13]3[c:14]12