HRID180762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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

HCID2079402

1-[4-(Trifluoromethoxy)benzene-1-sulfonyl]piperazine

C11H13F3N2O3S

PRODUCTS

生成物

结构：O=C(c1cnn2cccnc12)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

HCID59152101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7159139c51754e1bb1a73bb603d6a9ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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