HRID1213248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID98644

N-Acetyldehydroalanine methyl ester

C6H9NO3

HCID105144

Palladium(2+)

Pd+2

HCID68550103

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=Cc1cccc(F)c1C1OCCCO1)NC(C)=O

HCID68550186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad643f85d9ca43a091ac81ce144c4c2b
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:25](=[O:26])([OH:27])[O-:28].[CH2:31]([N+:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH3:47].[CH3:15][O:16][C:17]([C:18](=[CH2:19])[NH:20][C:21]([CH3:22])=[O:23])=[O:24].[Cl-:30].[F:1][c:2]1[c:3]([CH:9]2[O:10][CH2:11][CH2:12][CH2:13][O:14]2)[c:4]([I:8])[cH:5][cH:6][cH:7]1.[Na+:29].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[Pd+2:48]>>[F:1][c:2]1[c:3]([CH:9]2[O:10][CH2:11][CH2:12][CH2:13][O:14]2)[c:4]([CH:19]=[C:18]([C:17]([O:16][CH3:15])=[O:24])[NH:20][C:21]([CH3:22])=[O:23])[cH:5][cH:6][cH:7]1