HRID687027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID954258

4-Iodobenzyl bromide

C7H6BrI

HCID10176511

2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one

C11H18N2O

PRODUCTS

生成物

HCID11996426

2-Butyl-3-[(4-iodophenyl)methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

C18H23IN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01b92abaf6394be5bdc77450a70d6871
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

[CH2:2]([CH2:3][CH2:4][CH3:5])[C:6]1=[N:7][C:8]2([C:9](=[O:11])[NH:10]1)[CH2:12][CH2:13][CH2:14][CH2:15]2.[CH2:32]([N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[ClH:1].[I:18][c:19]1[cH:20][cH:21][c:22]([CH2:23][Br:24])[cH:25][cH:26]1.[K+:17].[OH-:16].[OH2:56].[S:27](=[O:28])(=[O:29])([OH:30])[O-:31]>>[CH2:2]([CH2:3][CH2:4][CH3:5])[C:6]1=[N:7][C:8]2([C:9](=[O:11])[N:10]1[CH2:23][c:22]1[cH:21][cH:20][c:19]([I:18])[cH:26][cH:25]1)[CH2:12][CH2:13][CH2:14][CH2:15]2