HRID2324413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

结构：CCOP(=O)(C=C1NCCN(C)c2cc(Cl)ccc21)OCC

HCID86585812

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(C=C1NCCN(C)c2cc(-c3ccccc3)ccc21)OCC

HCID86585815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7145f62fd72428db3a8286f9ee3c5ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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