HRID1232886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)COc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

HCID11607621

未命名化合物

PRODUCTS

生成物

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

HCID21933550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e2ee023b190492d9a4903efe782d90e
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

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