HRID152616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID107604

Methyl 4-bromobutyrate

C5H9BrO2

结构：CCc1cc(C(=O)OC)c(NC(=O)OC(C)C)cc1C(F)(F)F

HCID59432298

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)OC)c(N(CCCC(=O)OC)C(=O)OC(C)C)cc1C(F)(F)F

HCID59432526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0df28b3ffa44003a70959bc869c7bfa
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:32](=[O:33])([O-:34])[O-:35].[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][Br:7])=[O:8].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH3:9][O:10][C:11]([c:12]1[c:13]([NH:24][C:25](=[O:26])[O:27][CH:28]([CH3:29])[CH3:30])[cH:14][c:15]([C:20]([F:21])([F:22])[F:23])[c:16]([CH2:18][CH3:19])[cH:17]1)=[O:31].[Cs+:36].[Cs+:37]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][N:24]([c:13]1[c:12]([C:11]([O:10][CH3:9])=[O:31])[cH:17][c:16]([CH2:18][CH3:19])[c:15]([C:20]([F:21])([F:22])[F:23])[cH:14]1)[C:25](=[O:26])[O:27][CH:28]([CH3:29])[CH3:30])=[O:8]