HRID1551521

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(c4c(O)cccc4Cl)C3)cs2)CC1

HCID67242423

未命名化合物

PRODUCTS

生成物

结构：C#CCOc1cccc(Cl)c1C1CC(c2csc(C3CCN(C(=O)Cn4nc(C(F)F)cc4C(F)F)CC3)n2)=NO1

HCID86657570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92e4cdaff4454303b2bd79b699f1d5d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:47][CH2:48][C:49]#[CH:50].[C:39](=[O:40])([O-:41])[O-:42].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[ClH:51].[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]([Cl:37])[cH:32][cH:33][cH:34][c:35]5[OH:36])[CH2:29]4)[n:24]3)[CH2:18][CH2:19]2)[c:6]([CH:8]([F:9])[F:10])[cH:7]1)[F:38].[I-:46].[K+:43].[K+:44].[K+:45]>>[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]([Cl:37])[cH:32][cH:33][cH:34][c:35]5[O:36][CH2:50][C:49]#[CH:48])[CH2:29]4)[n:24]3)[CH2:18][CH2:19]2)[c:6]([CH:8]([F:9])[F:10])[cH:7]1)[F:38]