HRID818099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2554578

未命名化合物

HCID6485410

6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C8H7N3O2

PRODUCTS

生成物

结构：Cc1cnc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)cnn2c1

HCID59152073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-626b23a7ff3d4da4a5f77f98b03f85e3
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

[CH3:55][c:56]1[cH:57][n:58][c:59]2[n:60]([cH:61]1)[n:62][cH:63][c:64]2[C:65](=[O:66])[OH:67].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[Cl:82][CH2:83][Cl:84].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:7][cH:8]1)([F:18])[F:19].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:30].[OH:20][n:21]1[c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[n:28][n:29]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([C:65]([c:64]3[c:59]4[n:58][cH:57][c:56]([CH3:55])[cH:61][n:60]4[n:62][cH:63]3)=[O:66])[CH2:16][CH2:17]2)[cH:7][cH:8]1)([F:18])[F:19]