HRID675522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID1501912

4'-Bromomethyl-2-cyanobiphenyl

C14H10BrN

HCID3826051

未命名化合物

HCID10176511

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

C11H18N2O

PRODUCTS

生成物

结构：CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C#N)cc1

HCID9843116

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1'-biphenyl]-2-carbonitrile

C25H27N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f7b0e222de241a2a4cd31c37459baf8
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

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