HRID305428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID28557

18-Crown-6

C12H24O6

HCID4198849

tert-Butyl (2-oxopyrrolidin-3-yl)carbamate

C9H16N2O3

HCID4574913

未命名化合物

HCID21708486

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(Cc2ccc(C#N)c(N)c2)C1=O

HCID178452858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5189e07fc48a45fba3ba1fa90b50ccb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[C:9](=[O:13])[NH:10][CH2:11][CH2:12]1)=[O:14].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:15][C:16]([CH3:17])([O-:18])[CH3:19].[K+:20].[NH2:39][c:40]1[c:41]([C:42]#[N:43])[cH:44][cH:45][c:46]([CH2:48][Br:49])[cH:47]1.[O:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH2:28][CH2:29][O:30][CH2:31][CH2:32][O:33][CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[C:9](=[O:13])[N:10]([CH2:48][c:46]2[cH:45][cH:44][c:41]([C:42]#[N:43])[c:40]([NH2:39])[cH:47]2)[CH2:11][CH2:12]1)=[O:14]