HRID137655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID95417

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

C17H14O

2 次

结构：O=[N+]([O-])c1cccc(-c2nc(OS(=O)(=O)C(F)(F)F)cc3cccnc23)c1

HCID10810934

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)cc3cccnc23)c1

HCID10711281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e11612b284e34fcd9b07b4579f1eb803
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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