HRID91029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：C#CCCCCN(C(=O)C(=O)N1CCc2cc(OC)c(Br)cc2C1C(=O)OCC)C(C)(C)C

HCID58124910

未命名化合物

PRODUCTS

生成物

结构：C#CCCCCN(C(=O)C(=O)N1CCc2cc(OC)c(Br)cc2C1C(=O)O)C(C)(C)C

HCID58124942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23a63f545c924cb9864e5a3ab769c04b
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

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