HRID121657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID2756483

tert-Butyl 3-(aminomethyl)piperidine-1-carboxylate

C11H22N2O2

HCID45073363

2-(3-Fluorophenyl)pyrimidine-5-carboxylic acid

C11H7FN2O2

PRODUCTS

产物

HCID69163517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d2434846cd8048b3a26213b6d21bd3c3
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:1](=[O:2])([O-:3])[O-:4].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH:16]([CH2:20][NH2:21])[CH2:17][CH2:18][CH2:19]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cl-:22].[F:23][c:24]1[cH:25][c:26](-[c:30]2[n:31][cH:32][c:33]([C:36](=[O:37])[OH:38])[cH:34][n:35]2)[cH:27][cH:28][cH:29]1.[K+:5].[K+:6].[OH2:45]>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH:16]([CH2:20][NH:21][C:36]([c:33]2[cH:32][n:31][c:30](-[c:26]3[cH:25][c:24]([F:23])[cH:29][cH:28][cH:27]3)[n:35][cH:34]2)=[O:37])[CH2:17][CH2:18][CH2:19]1