HRID1151082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

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

HCID11267757

未命名化合物

HCID11808300

ethyl 2-(2-bromomethylphenoxy)propionate

C12H15BrO3

PRODUCTS

生成物

结构：CCOC(=O)C(C)Oc1ccccc1COc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

HCID18759635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa2357df98674f9f9863d4660cf562e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:29][CH2:30][c:31]1[c:32]([O:33][CH:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH3:40])[cH:41][cH:42][cH:43][cH:44]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:1][c:2]1[c:3]([OH:22])[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1.[K+:27].[K+:28]>>[Cl:1][c:2]1[c:3]([O:22][CH2:30][c:31]2[c:32]([O:33][CH:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH3:40])[cH:41][cH:42][cH:43][cH:44]2)[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1