HRID1202375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID105144

Palladium(2+)

Pd+2

HCID278942

4-Iodo-2,6-dimethylaniline

C8H10IN

HCID66604662

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=Cc1cc(C)c(N)c(C)c1)C(=O)OCc1ccccc1

HCID66605273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2540e716b74740e0af2cd3fd20479eaf
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

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20](=[O:21])[C:22]([C:23](=[O:24])[O:25][CH3:26])=[CH2:27].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:36][CH2:37][CH2:38][CH2:39][N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52].[Cl-:35].[ClH:1].[I:2][c:3]1[cH:4][c:5]([CH3:11])[c:6]([NH2:10])[c:7]([CH3:9])[cH:8]1.[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[Pd+2:53]>>[c:3]1([CH:27]=[C:22]([C:20]([O:19][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:21])[C:23](=[O:24])[O:25][CH3:26])[cH:4][c:5]([CH3:11])[c:6]([NH2:10])[c:7]([CH3:9])[cH:8]1