HRID242505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1094966

N,N-dimethylpiperazine-1-sulfonamide

C6H15N3O2S

结构：CC(C)(C)[C@H](NC(=O)n1nc(-c2ccc(F)c(F)c2)c2c1CCOC2)C(=O)NCCC#N

HCID46862252

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)n2nc(-c3ccc(F)c(F)c3)c3c2CCOC3)C(C)(C)C)CC1

HCID46862360

未命名化合物

PROCEDURE

实验过程

Compound 112 was prepared by the procedure described for the synthesis of compound 104 by replacing 2-cyanoethylamine with N,N-dimethylpiperazine-1-sulfonamide. LCMS (+ESI) m/z=569.4 [M+H]+. 1H NMR (CDCl3) δ 7.92 (d, J=9.6 Hz, 1H), 7.48-7.52 (m, 1H), 7.28-7.32 (m, 1H), 7.19-7.26 (m, 1H), 4.81-4.84 (m, 3H), 3.91-3.98 (m, 3H), 3.81-3.86 (m, 1H), 3.65-3.71 (m, 1H), 3.53-3.60 (m, 1H), 3.29-3.47 (m, 2H), 3.16-3.26 (m, 4H), 2.85 (s, 6H), 1.12 (s, 9H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcc1baaa3b374bda8475f4c80da87da5
来源数据集: uspto-grants-2014_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08653127B2
来源说明: uspto-grants-2014_02

反应 SMILES

C(C[CH2:4][NH:5][C:6](=[O:32])[C@@H:7]([NH:12][C:13]([N:15]1[C:19]2[CH2:20][CH2:21][O:22][CH2:23][C:18]=2[C:17]([C:24]2[CH:29]=[CH:28][C:27]([F:30])=[C:26]([F:31])[CH:25]=2)=[N:16]1)=[O:14])[C:8]([CH3:11])([CH3:10])[CH3:9])#N.[CH3:33][N:34]([CH3:44])[S:35]([N:38]1[CH2:43]CN[CH2:40][CH2:39]1)(=[O:37])=[O:36]>>[F:31][C:26]1[CH:25]=[C:24]([C:17]2[C:18]3[CH2:23][O:22][CH2:21][CH2:20][C:19]=3[N:15]([C:13]([NH:12][C@@H:7]([C:8]([CH3:10])([CH3:9])[CH3:11])[C:6]([N:5]3[CH2:4][CH2:43][N:38]([S:35](=[O:37])(=[O:36])[N:34]([CH3:44])[CH3:33])[CH2:39][CH2:40]3)=[O:32])=[O:14])[N:16]=2)[CH:29]=[CH:28][C:27]=1[F:30]