HRID2316402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID6328

Methyl iodide

CH3I

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID12595650

4-(4-Chlorophenyl)-4-(dimethylamino)cyclohexan-1-one

C14H18ClNO

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID15586325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb46e3218c66467da29b977e886c4904
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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