HRID937113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID3268011

tert-Butyl (2-aminocyclohexyl)carbamate

C11H22N2O2

HCID58317582

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C#N)cc(NC2CCCCC2NC(=O)OC(C)(C)C)nc1-c1cnn(C)c1

HCID77252951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6514964ad3fb45febf1bb580631094c1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[Cl:1][c:2]1[n:3][c:4](-[c:14]2[cH:15][n:16][n:17]([CH3:19])[cH:18]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1.[NH2:20][CH:21]1[CH:22]([NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:23][CH2:24][CH2:25][CH2:26]1.[OH2:35]>>[c:2]1([NH:20][CH:21]2[CH:22]([NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:23][CH2:24][CH2:25][CH2:26]2)[n:3][c:4](-[c:14]2[cH:15][n:16][n:17]([CH3:19])[cH:18]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1