HRID807912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID66052

1,1-Dimethylethyl chloroacetate

C6H11ClO2

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：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccccc3OCC(=O)OC(C)(C)C)c(Cl)cc2F)c1=O

HCID18759281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f6762ce3ee8499d86261022ac21e8cf
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl-:46].[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.[Cl:36][CH2:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44].[K+:34].[K+:35].[Na+:45].[OH2:58]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([O:11][CH2:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[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