HRID284106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8021

Diethylamine

C4H11N

HCID8302

Hexafluoropropene

C3F6

反应SMILES：CC(O)COCC1CC(OS(C)(=O)=O)CN1C(=O)OCc1ccccc1

HCID178470727

未命名化合物

PRODUCTS

产物

反应SMILES：CC(F)COCC1CC(OS(C)(=O)=O)CN1C(=O)OCc1ccccc1

HCID178461118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-82ce585a35b2460eb178cd7bcdb92f8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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