HRID812603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID95417

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

C17H14O

3 次

HCID57657534

未命名化合物

HCID57657573

未命名化合物

PRODUCTS

生成物

结构：COCCOCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F

HCID57657549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e9d58a9c47a48a394f7e3aee55048d3
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

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