HRID303918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

4 次

HCID1049

Pyridine

C5H5N

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6212

Chloroform

CHCl3

HCID6389

Trichlorofluoromethane

CCl3F

HCID7918

Acetic anhydride

C4H6O3

HCID14917

Hydrogen fluoride

HCID28179

Fluoride

F-

HCID84468

Trifluoroacetate

C2F3O2-

结构：CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC(C)C2(O)C(C)=O)C1

HCID178475307

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CCC2(C)C(CCC3C4CC(C)C(O)(C(C)=O)C4(C)CCC32F)C1

HCID178475340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaa8d15167a24d1ea01fef242faafa76
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

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH:13]([CH3:28])[C:14]([C:15]([CH3:16])=[O:17])([OH:27])[C:18]4([CH3:26])[CH2:19][CH2:20][CH:21]3[C:22]2([CH3:25])[CH2:23][CH2:24]1.[CH3:29][C:30]([O:31][C:32](=[O:33])[CH3:34])=[O:35].[CH:65]([Cl:66])([Cl:67])[Cl:68].[F-:44].[F:36][C:37]([F:38])([F:39])[C:40]([O-:41])=[O:42].[F:46].[F:60][C:61]([Cl:62])([Cl:63])[Cl:64].[Na+:43].[Na+:45].[Na+:52].[Na+:53].[S:47]([O-:48])([O-:49])(=[O:50])=[S:51].[cH:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]2[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH:13]([CH3:28])[C:14]([C:15]([CH3:16])=[O:17])([OH:27])[C:18]4([CH3:26])[CH2:19][CH2:20][C:21]3([F:36])[C:22]2([CH3:25])[CH2:23][CH2:24]1