HRID134332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

HCID101439

N-(2-Chloroethyl)benzamide

C9H10ClNO

HCID12816873

1,3-Dimethyl-6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione

C10H16N4O2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cn1c(N2CCN(CCNC(=O)c3ccccc3)CC2)cc(=O)n(C)c1=O

HCID19011857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19fc3cdf7a364229b42d5307a984876f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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