HRID113723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID31374

Dimethylacetamide

C4H9NO

HCID79625

Piperidine, 1-(3-chloropropyl)-

C8H16ClN

2 次

HCID166653

Hydride

H-

HCID22617736

tert-Butyl 5-oxo-1,4-diazepane-1-carboxylate

C10H18N2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(=O)N(CCCN2CCCCC2)CC1

HCID66783496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b65bad32dbc74d62afe47aac67b0c522
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][C:12](=[O:15])[CH2:13][CH2:14]1.[CH3:39][N:40]([CH3:41])[C:42](=[O:43])[CH3:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:18][CH2:19][CH2:20][CH2:21][N:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1.[Cl:29][CH2:30][CH2:31][CH2:32][N:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[ClH:28].[H-:17].[Na+:16].[Na+:53].[OH-:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:19][CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[C:12](=[O:15])[CH2:13][CH2:14]1