HRID2140926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID10681333

ethyl 2,2-dimethyl-5-bromopentanoate

C9H17BrO2

HCID13422031

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)CCCOc1ccc(NC(=O)CCCCCn2ccnc2)cc1

HCID13422034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70e46fd8db2441268d1913671c4f6e46
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

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