HRID108630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8868

Ethyl acetoacetate

C6H10O3

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)O

HCID181206

Trifop

C16H13F3O4

2 次

HCID5360545

Sodium

PRODUCTS

生成物

结构：CCOC(=O)C(C(C)=O)C(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

HCID178471729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b4bdcbf20044b80b66d24ac500c9856
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:56]([CH2:57][C:58](=[O:59])[CH3:60])(=[O:61])[O:62][CH2:63][CH3:64].[Cl-:1].[Cl-:54].[Cl:48][C:49]([C:50]([Cl:51])=[O:52])=[O:53].[F:25][C:26]([F:27])([F:28])[c:29]1[cH:30][cH:31][c:32]([O:33][c:34]2[cH:35][cH:36][c:37]([O:38][CH:39]([CH3:40])[C:41]([OH:42])=[O:43])[cH:44][cH:45]2)[cH:46][cH:47]1.[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]([O:13][CH:14]([C:15](=[O:16])[OH:17])[CH3:18])[cH:19][cH:20]2)[cH:21][cH:22]1)([F:23])[F:24].[Na:55].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]([O:13][CH:14]([C:15](=[O:16])[CH:57]([C:56](=[O:61])[O:62][CH2:63][CH3:64])[C:58](=[O:59])[CH3:60])[CH3:18])[cH:19][cH:20]2)[cH:21][cH:22]1)([F:23])[F:24]