HRID2139173

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID7130633

3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

C11H10N2O3

HCID10978156

未命名化合物

PRODUCTS

生成物

HCID176

Acetic Acid

C2H4O2

结构：O=C(Cc1nnc(-c2ccccc2)o1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

HCID22396190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7701a60a13d04a559b6b6493d697d1b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:41]([O-:42])([OH:43])=[O:44].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[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:46][CH2:47][Cl:48].[ClH:17].[Na+:45].[c:1]1(-[c:7]2[n:8][n:9][c:10]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[CH3:13][C:14](=[O:15])[OH:16].[c:1]1(-[c:7]2[n:8][n:9][c:10]([CH2:12][C:41]([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)=[O:44])[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1