HRID211426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

结构：Cc1c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c2n(c1=O)CCS2

HCID58380549

Methanesulfonic acid, 1,1,1-trifluoro-, 2,3-dihydro-6-methyl-8-nitro-5-oxo-5H-thiazolo[3,2-a]pyridin-7-yl ester

C9H7F3N2O6S2

HCID59596599

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Nc2ccc([Si](C)(C)C)cc2F)c([N+](=O)[O-])c2n(c1=O)CCS2

HCID58380572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52faddf4880c4a88ad3970cadcf5cf78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([O:15][S:16]([C:17]([F:18])([F:19])[F:20])(=[O:21])=[O:22])[c:4]([N+:12](=[O:13])[O-:14])[c:5]2[n:6]([c:7]1=[O:8])[CH2:9][CH2:10][S:11]2.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[F:23][c:24]1[c:25]([NH2:34])[cH:26][cH:27][c:28]([Si:30]([CH3:31])([CH3:32])[CH3:33])[cH:29]1.[K+:40].[K+:41].[K+:42].[P:35]([O-:36])([O-:37])([O-:38])=[O:39]>>[CH3:1][c:2]1[c:3]([NH:34][c:25]2[c:24]([F:23])[cH:29][c:28]([Si:30]([CH3:31])([CH3:32])[CH3:33])[cH:27][cH:26]2)[c:4]([N+:12](=[O:13])[O-:14])[c:5]2[n:6]([c:7]1=[O:8])[CH2:9][CH2:10][S:11]2