HRID2338794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID19660

Carbonate

CO3-2

HCID107385

2-Methylpentanoyl chloride

C6H11ClO

结构：Cc1nc(-c2cncc(F)c2)sc1N(C)C(=O)C1CCCNC1

HCID59580768

未命名化合物

PRODUCTS

生成物

结构：CCCC(C)C(=O)N1CCCC(C(=O)N(C)c2sc(-c3cncc(F)c3)nc2C)C1

HCID59580654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-155b8640ad094f0da4aa741a8a6c3de0
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

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