HRID679160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID23434554

未命名化合物

结构：C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1C=O

HCID86346213

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)C(Oc1ccc(F)cc1F)C(O)c1c([N+](=O)[O-])cnn1COCC[Si](C)(C)C

HCID59812959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39eea760dde845f78c304a477e29bb6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][O:14][C:15]([CH2:16][O:17][c:18]1[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]1)=[O:26].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:50].[N+:27](=[O:28])([O-:29])[c:30]1[c:31]([CH:43]=[O:44])[n:32]([CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:40])([CH3:41])[CH3:42])[n:33][cH:34]1.[NH4+:51].[OH2:58]>>[CH3:13][O:14][C:15]([CH:16]([O:17][c:18]1[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]1)[CH:43]([c:31]1[c:30]([N+:27](=[O:28])[O-:29])[cH:34][n:33][n:32]1[CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:40])([CH3:41])[CH3:42])[OH:44])=[O:26]