HRID165794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID1910189

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

C7H5N3O2

结构：Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCNC(C)C1

HCID72541816

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)c2cnn3cccnc23)C(C)C1

HCID72541822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43d77dc0c869419fb491ef406c5bccb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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