HRID701570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID90670

m-Formylbenzonitrile

C8H5NO

HCID3028194

Lithium

结构：CC(C)[Si](OCc1ccc(Br)cc1)(C(C)C)C(C)C

HCID11439315

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)[Si](OCc1ccc(C(O)c2cccc(C#N)c2)cc1)(C(C)C)C(C)C

HCID66699612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-371910484d834d6c87f821217711820d
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

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