HRID834843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID7809

p-Xylene

C8H10

HCID9340

Norchlorcyclizine

C17H19ClN2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID11018931

2-(2-chloroethoxy)acetamide

C4H8ClNO2

PRODUCTS

生成物

结构：NC(=O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

HCID3068840

2-(2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetamide

C21H26ClN3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec827f536f494840b7773380241cb273
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][c:45]1[cH:46][cH:47][c:48]([CH3:49])[cH:50][cH:51]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:6][cH:7]1.[Cl:21][CH2:22][CH2:23][O:24][CH2:25][C:26](=[O:27])[NH2:28].[I-:36].[K+:35].[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH2:11][N:12]([CH2:22][CH2:23][O:24][CH2:25][C:26](=[O:27])[NH2:28])[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:6][cH:7]1