HRID1117335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7912

Diisopropylamine

C6H15N

HCID7967

Cyclohexanone

C6H10O

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID66031

4-Methoxyphenylacetonitrile

C9H9NO

HCID5062348

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID9899621

1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol

C15H19NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7294bdd48444452994f5f6b81586df8c
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

[CH2:9]([Li:10])[CH2:11][CH2:12][CH3:13].[CH3:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH2:22][C:23]#[N:24])[cH:20][cH:21]1.[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:39]([NH:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[ClH:32].[Li+:8].[O:25]=[C:26]1[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[OH2:53]>>[CH3:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH:22]([C:23]#[N:24])[C:26]2([OH:25])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:20][cH:21]1