HRID2151248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2756862

1-Bromo-2-butyne

C4H5Br

HCID11992284

未命名化合物

PRODUCTS

生成物

结构：CC#CCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1

HCID23142005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a58b4c4bf70468f887f0b42a3b98976
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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