HRID293151

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

HCID10894

4-Iodophenol

C6H5IO

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

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(O)cc2)cc1NC(=O)c1ccccc1

HCID67342143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00331c8765f241099393481d5403fe3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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