HRID1239139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

HCID10978156

未命名化合物

HCID22396183

5-(2-Pyridinyl)-1H-1,2,4-triazole-3-propanoic acid

C10H10N4O2

PRODUCTS

生成物

结构：O=C(CCc1nc(-c2ccccn2)n[nH]1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

HCID22396188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d10ed3d979347528ce401ead02da114
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:55]([O:56][CH2:57][CH3:58])[CH3:59].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:43][C:44]([N:45]([CH3:46])[CH3:47])=[O:48].[Cl:18][c:19]1[cH:20][c:21]([CH2:22][N:23]2[CH2:24][CH2:25][CH:26]([NH2:29])[CH2:27][CH2:28]2)[cH:30][cH:31][c:32]1[Cl:33].[Cl:49][CH2:50][Cl:51].[Cl:52][CH2:53][Cl:54].[ClH:17].[Na+:42].[OH-:41].[n:1]1[c:2](-[c:7]2[n:8][nH:9][c:10]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[n:11]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[c:7]2[n:8][nH:9][c:10]([CH2:12][CH2:13][C:14](=[O:16])[NH:29][CH:26]3[CH2:25][CH2:24][N:23]([CH2:22][c:21]4[cH:20][c:19]([Cl:18])[c:32]([Cl:33])[cH:31][cH:30]4)[CH2:28][CH2:27]3)[n:11]2)[cH:3][cH:4][cH:5][cH:6]1