HRID938294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

HCID30165

Iodide ion

I-

HCID2763290

4-(chloromethyl)-1,3-thiazole

C4H4ClNS

结构：CC1=C(C#N)C(c2ccc(C#N)cc2S(=O)[O-])N(C)C(=O)N1c1cccc(C(F)(F)F)c1

HCID178428463

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C#N)C(c2ccc(C#N)cc2S(=O)(=O)Cc2cscn2)N(C)C(=O)N1c1cccc(C(F)(F)F)c1

HCID68757211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64f8430662194852a539ce00822e6cf7
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:42](=[O:43])([O-:44])[O-:45].[C:9](#[N:10])[c:11]1[cH:12][cH:13][c:14]([CH:20]2[N:21]([CH3:40])[C:22](=[O:39])[N:23]([c:29]3[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]3)[C:24]([CH3:28])=[C:25]2[C:26]#[N:27])[c:15]([S:17](=[O:18])[O-:19])[cH:16]1.[Cl:2][CH2:3][c:4]1[n:5][cH:6][s:7][cH:8]1.[ClH:1].[I-:49].[K+:46].[K+:47].[K+:48].[Na+:41].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55][O:56][CH2:57][CH2:58][O:59][CH2:60][CH2:61][O:62][CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72]>>[CH2:3]([c:4]1[n:5][cH:6][s:7][cH:8]1)[S:17]([c:15]1[c:14]([CH:20]2[N:21]([CH3:40])[C:22](=[O:39])[N:23]([c:29]3[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]3)[C:24]([CH3:28])=[C:25]2[C:26]#[N:27])[cH:13][cH:12][c:11]([C:9]#[N:10])[cH:16]1)(=[O:18])=[O:19]