HRID103642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID23149693

Bicyclo[2.2.2]octane-1-carboxylic acid, 4-amino-, ethyl ester

C11H19NO2

结构：N#CC1CC(F)CN1C(=O)COS(=O)(=O)c1ccccc1

HCID150304301

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C12CCC(NCC(=O)N3CC(F)CC3C#N)(CC1)CC2

HCID23149694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ad8fccc40c247d19040c68f1d3c19d1
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

[C:16](=[O:17])([O-:18])[O-:19].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[ClH:1].[F:24][CH:25]1[CH2:26][CH:27]([C:43]#[N:44])[N:28]([C:30]([CH2:31][O:32][S:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)(=[O:40])=[O:41])=[O:42])[CH2:29]1.[I-:23].[K+:20].[K+:21].[K+:22].[NH2:2][C:3]12[CH2:4][CH2:5][C:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])([CH2:7][CH2:8]1)[CH2:9][CH2:10]2>>[NH:2]([C:3]12[CH2:4][CH2:5][C:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])([CH2:7][CH2:8]1)[CH2:9][CH2:10]2)[CH2:31][C:30]([N:28]1[CH:27]([C:43]#[N:44])[CH2:26][CH:25]([F:24])[CH2:29]1)=[O:42]