HRID92537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6344

Dichloromethane

CH2Cl2

HCID61778

Bisulfate anion

HO4S-

HCID78284

Cyclopentanecarbonyl chloride

C6H9ClO

HCID81531

Diisopropylethylamine

C8H19N

HCID86583558

未命名化合物

PRODUCTS

产物

HCID86583560

ethyl (RS)-(4-cyano-phenylamino)-[3-(cyclopentanecarbonyl-amino)-5-ethyl-phenyl]-acetate

C25H29N3O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b60571a57ecd412897517fc2872b1eed
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

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