HRID834161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID70608

未命名化合物

结构：CSC1=NC(c2ccc(C#N)cc2)C(C(=O)O)=C(C)N1c1cccc(C(F)(F)F)c1

HCID57762428

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(SC)=NC1c1ccc(C#N)cc1

HCID57762421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbdcfeb84aae4d6ba5382f59384b589c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:38][CH2:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[BrH:37].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]=[C:11]([S:29][CH3:30])[N:12]([c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)[C:13]([CH3:18])=[C:14]2[C:15](=[O:16])[OH:17])[cH:7][cH:8]1.[C:31](=[O:32])([O-:33])[O-:34].[CH2:51]([N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH3:67].[CH3:46][C:47](=[O:48])[CH3:49].[I-:50].[K+:35].[K+:36]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]=[C:11]([S:29][CH3:30])[N:12]([c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)[C:13]([CH3:18])=[C:14]2[C:15](=[O:16])[O:17][CH2:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45])[cH:7][cH:8]1