HRID2224428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CN1CCN(S(=O)(=O)c2cccc(N)c2)CC1

HCID3197648

3-(4-Methylpiperazine-1-sulfonyl)aniline

C11H17N3O2S

反应SMILES：Cc1cc(-c2cc(C(F)F)n3ncc(C(=O)O)c3n2)ccc1C(F)(F)F

HCID66650674

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)N5CCN(C)CC5)c4)c3n2)ccc1C(F)(F)F

HCID69291732

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 7-difluoromethyl-5-(3-methyl-4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (example C.5) and 3-(4-methyl-piperazine-1-sulfonyl)-phenylamine [CAS 436095-35-1] according to general procedure II. Yellow solid. MS (ISP) 609.3 [(M+H)+]; mp 198° C.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-da9fbcfde32a4894b532f500f41a0631
来源数据集: uspto-grants-2008_05
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US07378417B2
来源说明: uspto-grants-2008_05

反应SMILES

[F:1][CH:2]([F:26])[C:3]1[N:8]2[N:9]=[CH:10][C:11]([C:12]([OH:14])=O)=[C:7]2[N:6]=[C:5]([C:15]2[CH:20]=[CH:19][C:18]([C:21]([F:24])([F:23])[F:22])=[C:17]([CH3:25])[CH:16]=2)[CH:4]=1.[CH3:27][N:28]1[CH2:33][CH2:32][N:31]([S:34]([C:37]2[CH:38]=[C:39]([NH2:43])[CH:40]=[CH:41][CH:42]=2)(=[O:36])=[O:35])[CH2:30][CH2:29]1>>[CH3:27][N:28]1[CH2:33][CH2:32][N:31]([S:34]([C:37]2[CH:38]=[C:39]([NH:43][C:12]([C:11]3[CH:10]=[N:9][N:8]4[C:3]([CH:2]([F:26])[F:1])=[CH:4][C:5]([C:15]5[CH:20]=[CH:19][C:18]([C:21]([F:22])([F:24])[F:23])=[C:17]([CH3:25])[CH:16]=5)=[N:6][C:7]=34)=[O:14])[CH:40]=[CH:41][CH:42]=2)(=[O:36])=[O:35])[CH2:30][CH2:29]1