HRID2129949

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)C(=CNc1ccc(F)c(F)c1OCC(C)OS(=O)(=O)c1ccc(C)cc1)C(=O)OCC

HCID14697184

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CN1c2ccc(F)c(F)c2OCC1C)C(=O)OCC

HCID13364401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb082951dd324883b50cfcb259f3a5a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[F:1][c:2]1[c:3]([O:22][CH2:23][CH:24]([CH3:25])[O:26][S:27]([c:28]2[cH:29][cH:30][c:31]([CH3:32])[cH:33][cH:34]2)(=[O:35])=[O:36])[c:4]([NH:9][CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:5][cH:6][c:7]1[F:8].[K+:41].[K+:42].[OH2:49]>>[F:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][c:7]1[F:8])[N:9]([CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH:24]([CH3:25])[CH2:23][O:22]2