HRID281436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID314941

2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole

C9H7ClN2O

HCID21939861

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：c1ccc(-c2nnc(COc3ccc4c(c3)CCC(CN3CCCCC3)C4)o2)cc1

HCID20700011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43ff31df92a6496db34769b56e665d08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:32](=[O:33])([O-:34])[O-:35].[Cl:19][CH2:20][c:21]1[o:22][c:23](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[n:24][n:25]1.[K+:36].[K+:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43].[OH:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([CH2:12][N:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:6][CH2:5]2>>[ClH:19].[O:1]([c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([CH2:12][N:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:6][CH2:5]2)[CH2:20][c:21]1[o:22][c:23](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[n:24][n:25]1