HRID94165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID7314264

1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethan-1-one

C12H15ClO3

HCID13076436

3-(Piperidin-4-yl)-1,2-benzoxazole

C12H14N2O

PRODUCTS

生成物

结构：COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3ccccc23)CC1

HCID10024423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e929c9afd24f45c6bf95fba4ba7ee4c2
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

[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:23][CH2:24][CH2:25][CH2:26][O:27][c:28]1[c:29]([O:37][CH3:38])[cH:30][c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]1.[ClH:1].[K+:17].[K+:18].[NH:2]1[CH2:3][CH2:4][CH:5]([c:8]2[n:9][o:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:6][CH2:7]1.[O-:19][C:20]([O-:21])=[O:22].[OH2:44]>>[N:2]1([CH2:24][CH2:25][CH2:26][O:27][c:28]2[c:29]([O:37][CH3:38])[cH:30][c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]2)[CH2:3][CH2:4][CH:5]([c:8]2[n:9][o:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:6][CH2:7]1