HRID92663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6328

Methyl iodide

CH3I

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID4574913

未命名化合物

结构：CC(=O)NCCCNc1nccc(C(C#N)=C2NC(C(C)(C)C)=CS2)n1

HCID69310017

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCCN(C)c1nccc(C(C#N)=C2NC(C(C)(C)C)=CS2)n1

HCID67068382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fd4f1c733214928807506763a0915d7
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:1]([CH3:2])([CH3:3])([CH3:4])[C:5]1=[CH:9][S:8][C:7](=[C:10]([c:11]2[n:12][c:13]([NH:17][CH2:18][CH2:19][CH2:20][NH:21][C:22]([CH3:23])=[O:24])[n:14][cH:15][cH:16]2)[C:25]#[N:26])[NH:6]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:33][I:34].[Cl:47][CH2:48][Cl:49].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[K+:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]1=[CH:9][S:8][C:7](=[C:10]([c:11]2[n:12][c:13]([N:17]([CH2:18][CH2:19][CH2:20][NH:21][C:22]([CH3:23])=[O:24])[CH3:27])[n:14][cH:15][cH:16]2)[C:25]#[N:26])[NH:6]1