HRID813830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID311

Citric acid

C6H8O7

HCID7622

Tributylamine

C12H27N

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID521008

1-Bromo-4-(trifluoromethoxy)benzene

C7H4BrF3O

结构：C=Cc1ccc(C(=O)OC(C)(C)C)c(NC(=O)c2ccccc2)c1

HCID67343635

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(C=Cc2ccc(OC(F)(F)F)cc2)cc1NC(=O)c1ccccc1

HCID67343572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-878b4cec52cf465da57045f55f43aa5f
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

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