HRID1228946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

HCID67067151

未命名化合物

PRODUCTS

生成物

结构：COC(CCCCl)(C(=O)NNC(=O)OC(C)(C)C)c1ccc(F)cc1

HCID67067169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-726186183c2641039b6b92e37a53bb36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:25]([NH:26][NH2:27])(=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33].[CH2:34]([Cl:35])[Cl:36].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl-:24].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:7][CH2:8][CH2:9][CH2:10][C:11]([C:12](=[O:13])[OH:14])([O:15][CH3:16])[c:17]1[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:48]>>[Cl:7][CH2:8][CH2:9][CH2:10][C:11]([C:12](=[O:14])[NH:27][NH:26][C:25](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])([O:15][CH3:16])[c:17]1[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]1