HRID694892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Br)c1S(=O)(=O)C(F)(F)F

HCID16727054

未命名化合物

HCID21485330

3-(Ethylsulfanyl)propan-1-amine

C5H13NS

PRODUCTS

生成物

结构：CCSCCCNc1c(S(=O)(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

HCID86600228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d92f6fc29fa349bea3517980ed848458
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([S:21](=[O:22])(=[O:23])[C:24]([F:25])([F:26])[F:27])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[C:35](=[O:36])([O-:37])[O-:38].[CH2:28]([CH3:29])[S:30][CH2:31][CH2:32][CH2:33][NH2:34].[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:53][CH2:54][Cl:55].[K+:39].[K+:40].[OH2:41]>>[c:2]1([NH:34][CH2:33][CH2:32][CH2:31][S:30][CH2:28][CH3:29])[c:3]([S:21](=[O:22])(=[O:23])[C:24]([F:25])([F:26])[F:27])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]