HRID2337125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID4914628

1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

C11H9NO2

HCID10511897

1-BENZYL-3-METHYLPYRROLIDIN-3-AMINE

C12H18N2

PRODUCTS

生成物

结构：Cn1c(=O)c(CNC2(C)CCN(Cc3ccccc3)C2)cc2ccccc21

HCID58415915

1-Methyl-3-[[[3-methyl-1-(phenylmethyl)-3-pyrrolidinyl]amino]methyl]-2(1H)-quinolinone

C23H27N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f70ad05c9014365ac4d6b8c0e906f1a
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

[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[N:22]1[CH2:23][C:24]([NH2:27])([CH3:28])[CH2:25][CH2:26]1.[CH3:1][n:2]1[c:3](=[O:14])[c:4]([CH:12]=[O:13])[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[CH3:29][C:30](=[O:31])[OH:32].[Cl:47][CH2:48][Cl:49].[Na+:46]>>[CH3:1][n:2]1[c:3](=[O:14])[c:4]([CH2:12][NH:27][C:24]2([CH3:28])[CH2:23][N:22]([CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:26][CH2:25]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12