HRID1135638

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

HCID136357

Benzene, 1-bromo-3,5-dimethyl-

C8H9Br

HCID424752

Ethyl (1-benzylpiperidin-4-ylidene)(cyano)acetate

C17H20N2O2

HCID5462224

Magnesium

PRODUCTS

生成物

结构：CCOC(=O)C(C#N)C1(c2cc(C)cc(C)c2)CCN(Cc2ccccc2)CC1

HCID22613825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f458f487a1341a8b27169f92bfc642f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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