HRID834020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

结构：Cc1c(C)c(C)c(P(C(C)(C)C)C(C)(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1C

HCID11953610

Di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tri(propan-2-yl)[1,1'-biphenyl]-2-yl]phosphane

C33H53P

结构：CC(C)OC(=O)NC1Cc2c(n(Cc3ccncc3Br)c3ccc(C#N)cc23)C1

HCID66933640

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)NC1Cc2c(n(Cc3ccncc3O)c3ccc(C#N)cc23)C1

HCID66933297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-172d6bb79f5948febc4776fbe2d63cce
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[c:38]1[c:39]([CH3:40])[c:41]([CH3:42])[c:43]([CH3:44])[c:45]([CH3:46])[c:47]1-[c:48]1[c:49]([CH:50]([CH3:51])[CH3:52])[cH:53][c:54]([CH:55]([CH3:56])[CH3:57])[cH:58][c:59]1[CH:60]([CH3:61])[CH3:62])([CH3:63])([CH3:64])[CH3:65].[CH2:67]1[O:68][CH2:69][CH2:70][O:71][CH2:72]1.[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([NH:6][CH:7]1[CH2:8][c:9]2[c:10]([n:11]([CH2:20][c:21]3[c:22]([Br:27])[cH:23][n:24][cH:25][cH:26]3)[c:12]3[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]23)[CH2:28]1)=[O:29].[Cl:73][CH2:74][Cl:75].[K+:31].[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.[OH-:30].[OH2:66].[Pd:76].[Pd:77]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([NH:6][CH:7]1[CH2:8][c:9]2[c:10]([n:11]([CH2:20][c:21]3[c:22]([OH:30])[cH:23][n:24][cH:25][cH:26]3)[c:12]3[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]23)[CH2:28]1)=[O:29]