HRID2319750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7842

Propargyl bromide

C3H3Br

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：O=C(Cn1nc(C(F)F)cc1C(F)F)N1CCC(c2nc(C3=NOC(c4ccccc4O)C3)cs2)CC1

HCID66584687

未命名化合物

PRODUCTS

生成物

结构：C#CCOc1ccccc1C1CC(c2csc(C3CCN(C(=O)Cn4nc(C(F)F)cc4C(F)F)CC3)n2)=NO1

HCID86657568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f40080a5fbd64bb59c732860b12803de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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