HRID142202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)C(C)Oc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

HCID12115508

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl)C(=O)O

HCID21933576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a61b636db6647ce81c7cc23d93f8029
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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