HRID1218059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8821

Ethyl acrylate

C5H8O2

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID11111864

Carbamic acid, [2-(5-cyano-2-iodophenoxy)ethyl]-, 1,1-dimethylethyl ester

C14H17IN2O3

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(C#N)cc1OCCNC(=O)OC(C)(C)C

HCID69921285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c79f50fb7c2b45c99545ae1702ff4fbe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18][c:19]1[I:20].[C:21]([CH:22]=[CH2:23])(=[O:24])[O:25][CH2:26][CH3:27].[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[Pd+2:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18][c:19]1[CH:23]=[CH:22][C:21](=[O:24])[O:25][CH2:26][CH3:27]