HRID2339493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID7020335

Tert-butyl 4-aminobutanoate

C8H17NO2

结构：COC(=O)C1=C(C)N=C(OC)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1c1ccc(F)cc1

HCID10527222

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)N=C(OC)N(C(=O)NCCCC(=O)OC(C)(C)C)C1c1ccc(F)cc1

HCID57526926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9929967b263e40b7b7388151fb7ed960
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:50][OH:51].[Cl:52][CH2:53][Cl:54].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:29](=[O:30])[O:31][CH3:32])=[C:10]([CH3:28])[N:11]=[C:12]([O:26][CH3:27])[N:13]2[C:14](=[O:15])[O:16][c:17]2[cH:18][cH:19][c:20]([N+:21]([O-:22])=[O:23])[cH:24][cH:25]2)[cH:6][cH:7]1.[K+:33].[K+:34].[NH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49].[O-:35][C:36]([O-:37])=[O:38]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:29](=[O:30])[O:31][CH3:32])=[C:10]([CH3:28])[N:11]=[C:12]([O:26][CH3:27])[N:13]2[C:14](=[O:15])[NH:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:6][cH:7]1