HRID101568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID58196647

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cc(NC3CC3)n3ncc(C=O)c3n2)CC1

HCID58314678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96e17b862c2d4e55a9108f9dcf845327
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:17](=[O:18])([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([NH:8][CH:9]3[CH2:10][CH2:11]3)[cH:7]1)[n:12][cH:13][c:14]2[CH:15]=[O:16].[K+:34].[K+:35].[OH2:50]>>[c:2]1([N:27]2[CH2:26][CH2:25][N:24]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:29][CH2:28]2)[n:3][c:4]2[n:5]([c:6]([NH:8][CH:9]3[CH2:10][CH2:11]3)[cH:7]1)[n:12][cH:13][c:14]2[CH:15]=[O:16]