HRID158405

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

HCID11372

Naphthalene, 2-bromo-

C10H7Br

HCID424752

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

C17H20N2O2

HCID5462224

Magnesium

PRODUCTS

生成物

结构：CCOC(=O)C(C#N)C1(c2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1

HCID22613835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80ba109602574c11b1649bbc8c7eb722
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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