HRID242502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID88747

2-(Piperazin-1-yl)pyrimidine

C8H12N4

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：CC(C)(C)[C@H](NC(=O)n1nc(-c2ccc(F)c(F)c2)c2c1CCOC2)C(=O)N1CCN(c2ncccn2)CC1

HCID46862249

未命名化合物

PROCEDURE

实验过程

Compound 107 was prepared by the procedure described for the synthesis of compound 104 by replacing 2-cyanoethylamine with 2-(piperazin-1-yl)pyrimidine. LCMS (+ESI) m/z=540.4 [M+H]+. 1H NMR (CDCl3) δ 8.33 (d, J=4.8 Hz, 2H), 8.00 (d, J=9.6 Hz, 1H), 7.47-7.52 (m, 1H), 7.30-7.33 (m, 1H), 7.19-7.26 (m, 1H), 6.56 (t, J=4.8 Hz, 1H), 4.90 (d, J=9.6 Hz, 1H), 4.82 (s, 2H), 4.00-4.06 (m, 1H), 3.63-3.96 (m, 9H), 3.18 (br, 2H), 1.11 (s, 9H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-550d299859b84593a16605978c9efcd9
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.[N:33]1([C:39]2[N:44]=[CH:43][CH:42]=[CH:41][N:40]=2)[CH2:38]CN[CH2:35][CH2:34]1>>[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]([CH3:9])([CH3:10])[CH3:11])[C:6](=[O:32])[N:5]3[CH2:4][CH2:38][N:33]([C:39]4[N:44]=[CH:43][CH:42]=[CH:41][N:40]=4)[CH2:34][CH2:35]3)=[O:14])[N:16]=2)[CH:29]=[CH:28][C:27]=1[F:30]