HRID1685796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19261352

Methyl pyrrolidine-3-carboxylate--hydrogen chloride (1/1)

C6H12ClNO2

结构：CCc1cc(-c2noc(-c3cc(C)c(CN(CC)CC)s3)n2)cc(C)c1OC[C@@H]1CO1

HCID86646463

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(-c2noc(-c3cc(C)c(CN(CC)CC)s3)n2)cc(C)c1OC[C@@H](O)CN1CCC(C(=O)O)C1

HCID67265890

未命名化合物

PROCEDURE

实验过程

The title compound is prepared starting from diethyl-{5-[3-((S)-3-ethyl-5-methyl-4-oxiranylmethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-3-methyl-thiophen-2-ylmethyl}-amine (30 mg, 68 μmol) and rac-pyrrolidine-3-carboxylic acid methyl ester hydrochloride (56 mg, 340 μmol) in analogy to Example 203; LC-MS*: tR=0.76 min; [M+1]+=557.17; 1H NMR (D6-DMSO): δ 1.03 (t, J=7.0 Hz, 6H), 1.21 (t, J=7.5 Hz, 3H), 1.90-1.98 (m, 2H), 2.22 (s, 3H), 2.34 (s, 3H), 2.43-2.49 (m, 1H), 2.58 (q, J=7.0 Hz, 4H), 2.67-2.77 (m, 5H), 2.80-2.95 (m, 2H), 3.73 (s, 2H), 3.74-3.77 (m, 1H), 3.78-3.84 (m, 2H), 3.91-3.98 (m, 1H), 7.72 (s, 2H), 7.80 (s, 1H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed955cb9f2634e9e94fc911a00df28ad
来源数据集: uspto-grants-2012_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08148410B2
来源说明: uspto-grants-2012_04

反应 SMILES

[CH2:1]([N:3]([CH2:30][CH3:31])[CH2:4][C:5]1[S:6][C:7]([C:11]2[O:15][N:14]=[C:13]([C:16]3[CH:21]=[C:20]([CH3:22])[C:19]([O:23][CH2:24][C@@H:25]4[CH2:27][O:26]4)=[C:18]([CH2:28][CH3:29])[CH:17]=3)[N:12]=2)=[CH:8][C:9]=1[CH3:10])[CH3:2].Cl.C[O:34][C:35]([CH:37]1[CH2:41][CH2:40][NH:39][CH2:38]1)=[O:36]>>[CH2:1]([N:3]([CH2:4][C:5]1[S:6][C:7]([C:11]2[O:15][N:14]=[C:13]([C:16]3[CH:21]=[C:20]([CH3:22])[C:19]([O:23][CH2:24][C@@H:25]([OH:26])[CH2:27][N:39]4[CH2:40][CH2:41][CH:37]([C:35]([OH:34])=[O:36])[CH2:38]4)=[C:18]([CH2:28][CH3:29])[CH:17]=3)[N:12]=2)=[CH:8][C:9]=1[CH3:10])[CH2:30][CH3:31])[CH3:2]