HRID184935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID98644

N-Acetyldehydroalanine methyl ester

C6H9NO3

HCID105144

Palladium(2+)

Pd+2

HCID18504630

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=Cc1cc(C)c(OCc2ccccc2)c(Cl)c1)NC(C)=O

HCID68673687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7905600a3d40411e91cb91f7f5ef8497
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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