HRID179638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID95576

Propanoic acid, 2-bromo-, methyl ester

C4H7BrO2

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccccc3O)c(Cl)cc2F)c1=O

HCID12115507

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)Oc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

HCID12115508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9ae4accffdc4f1ba006f7d1627b6ea6
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

[Br:36][CH:37]([C:38](=[O:39])[O:40][CH3:41])[CH3:42].[C:30](=[O:31])([O-:32])[O-:33].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([OH:11])[cH:7][cH:8][cH:9][cH:10]2)[cH:12][c:13](-[n:17]2[c:18](=[O:29])[n:19]([CH3:28])[c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[c:14]([F:16])[cH:15]1.[K+:34].[K+:35].[OH2:43]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([O:11][CH:37]([C:38](=[O:39])[O:40][CH3:41])[CH3:42])[cH:7][cH:8][cH:9][cH:10]2)[cH:12][c:13](-[n:17]2[c:18](=[O:29])[n:19]([CH3:28])[c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[c:14]([F:16])[cH:15]1