HRID1211197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID197732

3-Methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C14H19N3O

HCID1810419

1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

C10H11ClN2O

PRODUCTS

生成物

结构：CN1CN(c2ccccc2)C2(CCN(CCCn3c(=O)[nH]c4ccccc43)CC2)C1=O

HCID20385567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-276e6cfcf19743e884add53005b95259
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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