HRID1297285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773486

4-Methoxy-2-methylphenylboronic acid

C8H11BO3

结构：CCO[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1Nc1nc(CC)c(-c2cnc(N(C)C)cc2C)nc1CC

HCID58914572

未命名化合物

PRODUCTS

生成物

结构：CCO[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1Nc1nc(CC)c(-c2ccc(OC)cc2C)nc1CC

HCID58914570

未命名化合物

PROCEDURE

实验过程

Following the procedure for the preparation of benzyl (3R,4S)-3-({5-[6-(dimethylamino)-4-methylpyridin-3-yl]-3,6-diethylpyrazin-2-yl}amino)-4-ethoxypyrrolidine-1-carboxylate and but substituting 2-methyl-4-methoxy-phenyl boronic acid provided the title compound as an amorphous solid. 1H NMR (CDCl3) δ 1.04, 1.21, 2.04, 2.40, 2.65, 3.22˜3.26, 3.41, 3.52˜3.68, 3.75, 3.94, 4.03, 4.68, 5.08, 6.70, 6.74, 7.02, 7.28˜7.32; IR (liq.) 2971 (s), 2339 (w), 2166 (w), 2082 (w), 1957 (w), 1708 (s), 1564 (s), 1482 (s), 1420 (s), 1395 (s), 1349 (s), 1242 (s), 1169 (s), 1125 (s), 1096 (s) cm−1 HRMS (ESI) calcd for C30H38N4O4+H1 519.2971. found 519.2974.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-596bcdbb173c461aa7b308ea79c18323
来源数据集: uspto-grants-2007_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07250418B2
来源说明: uspto-grants-2007_07

反应 SMILES

CN(C)C1N=CC([C:9]2[N:10]=[C:11]([CH2:36][CH3:37])[C:12]([NH:17][C@H:18]3[C@@H:22]([O:23][CH2:24][CH3:25])[CH2:21][N:20]([C:26]([O:28][CH2:29][C:30]4[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=4)=[O:27])[CH2:19]3)=[N:13][C:14]=2[CH2:15][CH3:16])=C(C)C=1.[CH3:40][C:41]1[CH:46]=[C:45]([O:47][CH3:48])[CH:44]=[CH:43][C:42]=1B(O)O>>[CH2:36]([C:11]1[C:12]([NH:17][C@H:18]2[C@@H:22]([O:23][CH2:24][CH3:25])[CH2:21][N:20]([C:26]([O:28][CH2:29][C:30]3[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=3)=[O:27])[CH2:19]2)=[N:13][C:14]([CH2:15][CH3:16])=[C:9]([C:42]2[CH:43]=[CH:44][C:45]([O:47][CH3:48])=[CH:46][C:41]=2[CH3:40])[N:10]=1)[CH3:37]