HRID799015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID311

Citric acid

C6H8O7

HCID8857

Ethyl acetate

C4H8O2

HCID12147

Acetamide, N-(4-iodophenyl)-

C8H8INO

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID4594378

bis(cyclohexylmethyl)amine

C14H27N

结构：C=Cc1ccc(C(=O)OC(C)(C)C)c(Nc2ccc(F)cc2)c1

HCID68959213

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(C=Cc2ccc(C(=O)OC(C)(C)C)c(Nc3ccc(F)cc3)c2)cc1

HCID68957317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f57664c234a4ebc864244b7f74bae4f
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

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