HRID2316624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID10635722

未命名化合物

HCID22324125

5-(4-Fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid

C11H8FNO2S

PRODUCTS

生成物

结构：Cc1nc(C(=O)N(C)CCNC(=O)C(F)(F)F)c(-c2ccc(F)cc2)s1

HCID86599719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdd4aef462ce4800a875e99b0b256cb5
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

[CH3:1][C:2]([O:3][C:6]([N:7]([CH2:8][CH2:9][NH:10][C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH3:17])=[O:18])([CH3:4])[CH3:5].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:81][CH2:82][Cl:83].[F:32][c:33]1[cH:34][cH:35][c:36](-[c:39]2[c:40]([C:45]([OH:46])=[O:47])[n:41][c:42]([CH3:44])[s:43]2)[cH:37][cH:38]1.[K+:26].[K+:27].[O-:28][C:29]([O-:30])=[O:31].[OH:19][C:20]([C:21]([F:22])([F:23])[F:24])=[O:25].[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[C:6]([N:7]([CH2:8][CH2:9][NH:10][C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH3:17])(=[O:18])[c:40]1[c:39](-[c:36]2[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]2)[s:43][c:42]([CH3:44])[n:41]1