HRID1148557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID591073

4-Formylphenylboronic acid

C7H7BO3

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)c(F)cc32)C=C1Br

HCID69402547

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)c(F)cc32)C=C1c1ccc(C=O)cc1

HCID72464757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1da3ef2d5e9b4d51b6bab24337e6f7a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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