HRID2125192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID27517

Ethyl 2-piperidinecarboxylate

C8H15NO2

HCID30165

Iodide ion

I-

HCID286779

5-(3-chloropropyl)-10,11-dihydro-5h-dibenzo[b,f]azepine

C17H18ClN

PRODUCTS

生成物

结构：CCOC(=O)C1CCCCN1CCCN1c2ccccc2CCc2ccccc21

HCID54010195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6dc15d508a9474d8464e43b9d2c3138
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH:7]1[NH:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:46][C:47]#[N:48].[Cl:13][CH2:14][CH2:15][CH2:16][N:17]1[c:18]2[c:19]([cH:28][cH:29][cH:30][cH:31]2)[CH2:20][CH2:21][c:22]2[c:23]1[cH:24][cH:25][cH:26][cH:27]2.[ClH:1].[I-:33].[K+:32].[K+:38].[K+:39].[OH2:40]>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH:7]1[N:8]([CH2:14][CH2:15][CH2:16][N:17]2[c:18]3[c:19]([cH:28][cH:29][cH:30][cH:31]3)[CH2:20][CH2:21][c:22]3[c:23]2[cH:24][cH:25][cH:26][cH:27]3)[CH2:9][CH2:10][CH2:11][CH2:12]1