HRID801874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID1910189

Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C7H5N3O2

HCID4641409

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

C10H15N6O+

HCID62673656

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)c2cnn3cccnc23)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID72541815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3da13872e10e44d782ac704d413e23f6
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:47][CH:48]1[N:49]([S:54](=[O:55])(=[O:56])[c:57]2[cH:58][cH:59][c:60]([C:63]([F:64])([F:65])[F:66])[cH:61][cH:62]2)[CH2:50][CH2:51][NH:52][CH2:53]1.[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:67][CH2:68][Cl:69].[ClH:46].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:81].[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:1]1[cH:2][c:3]([C:10](=[O:11])[OH:12])[c:4]2[n:5]1[cH:6][cH:7][cH:8][n:9]2.[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[n:1]1[cH:2][c:3]([C:10](=[O:12])[N:52]2[CH2:51][CH2:50][N:49]([S:54](=[O:55])(=[O:56])[c:57]3[cH:58][cH:59][c:60]([C:63]([F:64])([F:65])[F:66])[cH:61][cH:62]3)[CH:48]([CH3:47])[CH2:53]2)[c:4]2[n:5]1[cH:6][cH:7][cH:8][n:9]2