HRID1538280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID75994

1-Benzylpiperazine

C11H16N2

HCID3017359

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

C13H15ClN2O

PRODUCTS

生成物

结构：C=C(C)n1c(=O)n(CCCN2CCN(Cc3ccccc3)CC2)c2ccccc21

HCID20506338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f2fddad888c4a90bcd2b92aa4b0df81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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