HRID682264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID13851

Thiophene, 2-bromo-

C4H3BrS

HCID24841

Hydrogen iodide

HCID5462224

Magnesium

HCID57504797

1,1-Dimethylethyl 4-cyano-4-(dimethylamino)-1-piperidinecarboxylate

C13H23N3O2

PRODUCTS

生成物

结构：CN(C)C1(c2cccs2)CCN(C(=O)OC(C)(C)C)CC1

HCID57831240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7211d53202644ba9b5aede5bdc26722
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:3][c:4]1[s:5][cH:6][cH:7][cH:8]1.[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][C:19]([N:22]([CH3:23])[CH3:24])([C:25]#[N:26])[CH2:20][CH2:21]1.[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:29][CH2:30][O:31][CH2:32][CH3:33].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cl-:27].[I:1].[Mg:2].[NH4+:28]>>[c:4]1([C:19]2([N:22]([CH3:23])[CH3:24])[CH2:18][CH2:17][N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:21][CH2:20]2)[s:5][cH:6][cH:7][cH:8]1