HRID138534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)CCC(C)(C)c2cc(C(=O)c3cccc(I)c3)ccc21

HCID15428931

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1cccc(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

HCID70223406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b83bbde1e6c481790b89818e311acd8
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:24](=[O:25])([O-:26])[O-:27].[C:30]([CH:31]=[CH2:32])(=[O:33])[O:34][CH3:35].[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH3:43][CH2:44][CH2:45][CH2:46][N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59].[Cl-:42].[I:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:17]([cH:18][cH:19]2)[C:16]([CH3:20])([CH3:21])[CH2:15][CH2:14][C:13]3([CH3:22])[CH3:23])[cH:5][cH:6][cH:7]1.[K+:28].[K+:29].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36].[Pd+2:64]>>[c:2]1([CH:32]=[CH:31][C:30](=[O:33])[O:34][CH3:35])[cH:3][c:4]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:17]([cH:18][cH:19]2)[C:16]([CH3:20])([CH3:21])[CH2:15][CH2:14][C:13]3([CH3:22])[CH3:23])[cH:5][cH:6][cH:7]1