HRID88791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8058

Hexane

C6H14

HCID10009

3-Pyridinamine

C5H6N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID637602

6-[(tert-Butoxycarbonyl)amino]hexanoic acid

C11H21NO4

PRODUCTS

产物

HCID66810297

(5-(Pyridin-3-ylcarbamoyl)pentyl]carbamic acid tert-butyl ester

C16H25N3O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9678199d73d44ee0873c3202862259d4
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:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[NH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21](=[O:22])[OH:23].[CH2:44]([Cl:45])[Cl:46].[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[ClH:34].[NH2:1][c:2]1[cH:3][n:4][cH:5][cH:6][cH:7]1.[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[NH:1]([c:2]1[cH:3][n:4][cH:5][cH:6][cH:7]1)[C:21]([CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][NH:15][C:13]([O:12][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:14])=[O:22]