HRID814016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID16976

Nicotinic acid 1-oxide

C6H5NO3

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID14026188

3-{3-[(3-Methylpiperidin-1-yl)methyl]phenoxy}propan-1-amine

C16H26N2O

PRODUCTS

生成物

结构：CC1CCCN(Cc2cccc(OCCCNC(=O)c3ccc[n+]([O-])c3)c2)C1

HCID6917813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56defab8610d441b824f7cdb41fd6f67
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

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