HRID1130715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID286779

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

C17H18ClN

HCID45090284

Methyl 2-methylpiperidine-3-carboxylate

C8H15NO2

PRODUCTS

生成物

结构：COC(=O)C1CCCN(CCCN2c3ccccc3CCc3ccccc32)C1C

HCID54477109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f89eea71dff740378e82be6d92930749
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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