HRID1499309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11159315

3-amino-2,2-dimethylpropanamide

C5H12N2O

结构：CS[C@H]1O[C@@H](c2ccc(C)c(Cc3ccc(OCCCNCC(C)(C)CN(C)C)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

HCID90183140

未命名化合物

PRODUCTS

生成物

结构：CS[C@H]1O[C@@H](c2ccc(C)c(Cc3ccc(OCCCNCC(C)(C)C(N)=O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

HCID76070898

未命名化合物

PROCEDURE

实验过程

The same procedure was employed as for amine 50, using 3-amino-2,2-dimethylpropanamide, to provide the product 51. The material was purified by prep HPLC (C18 30×100 mm column, 5-60% CH3CN/10 mM aqueous ammonium formate, 45 mL/min) and lyophilized to give the formate salt the product as a white solid. 1H NMR (400 MHz, MeOH-d4) δ ppm 7.11-7.21 (m, 3 H), 7.06 (d, J=8.1 Hz, 2 H), 6.88 (m, J=8.3 Hz, 2 H), 4.39 (d, J=9.3 Hz, 1H), 4.05-4.16 (m, 3 H), 3.94 (s, 2 H), 3.35-3.53 (m, 3 H), 3.23 (t, J=6.9 Hz, 2 H), 3.07 (s, 2 H), 2.20 (s, 3 H), 2.16-2.24 (m, 2 H), 2.14 (s, 3 H), 1.33 (s, 6 H); MS (ES+) [M+H]+=533.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9f5a797525f47e0ae14c9a6c8568a5f
来源数据集: uspto-grants-2015_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09200025B2
来源说明: uspto-grants-2015_12

反应 SMILES

C[N:2](C)[CH2:3][C:4]([CH3:37])([CH3:36])[CH2:5][NH:6][CH2:7][CH2:8][CH2:9][O:10][C:11]1[CH:35]=[CH:34][C:14]([CH2:15][C:16]2[CH:17]=[C:18]([C@H:23]3[C@H:28]([OH:29])[C@@H:27]([OH:30])[C@H:26]([OH:31])[C@@H:25]([S:32][CH3:33])[O:24]3)[CH:19]=[CH:20][C:21]=2[CH3:22])=[CH:13][CH:12]=1.NCC(C)(C)C(N)=[O:43]>>[CH3:36][C:4]([CH3:37])([CH2:5][NH:6][CH2:7][CH2:8][CH2:9][O:10][C:11]1[CH:12]=[CH:13][C:14]([CH2:15][C:16]2[CH:17]=[C:18]([C@H:23]3[C@H:28]([OH:29])[C@@H:27]([OH:30])[C@H:26]([OH:31])[C@@H:25]([S:32][CH3:33])[O:24]3)[CH:19]=[CH:20][C:21]=2[CH3:22])=[CH:34][CH:35]=1)[C:3]([NH2:2])=[O:43]