HRID2342732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID57472502

未命名化合物

PRODUCTS

生成物

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cnn(C)c(=O)c21

HCID57472499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3690d7788cc44a49fdeb9b273eda81f
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

[C:24](=[O:25])([O-:26])[O-:27].[CH2:8]([C:9]#[C:10][CH3:11])[n:12]1[c:13]([Cl:23])[n:14][c:15]2[cH:16][n:17][n:18]([CH3:22])[c:19](=[O:21])[c:20]12.[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][C:6]1=[O:7].[K+:28].[K+:29].[N:30]1([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[OH2:43]>>[CH2:8]([C:9]#[C:10][CH3:11])[n:12]1[c:13]([N:33]2[CH2:32][CH2:31][N:30]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:35][CH2:34]2)[n:14][c:15]2[cH:16][n:17][n:18]([CH3:22])[c:19](=[O:21])[c:20]12