HRID1204099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID78504

2,6-Dichloropyrazine

C4H2Cl2N2

HCID104967

Cesium(1+)

Cs+

2 次

HCID11747599

tert-Butyl [4,4'-bipiperidine]-1-carboxylate

C15H28N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C2CCN(c3cncc(Cl)n3)CC2)CC1

HCID59178885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e5c6132977046dcaf3021a62c32a785
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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