HRID175381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID3776

Isopropanol

C3H8O

HCID7914

Isopropyl ether

C6H14O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID70538

1-(2,6-Xylyl)piperazine

C12H18N2

HCID14698746

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1N1CCN(CCC2CN(C)C(=O)O2)CC1

HCID15030089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-630fb48d522c465a84ab2287fa255c7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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