HRID386688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

$结构：CCCN(CCC)C(=O)COC(=O)COc1ccc(CCC(=O)N2CCC3(CC2)CN/C(=N\C(=O)c2nc(Cl)c(N)nc2N)N3)cc1$

HCID178457293

未命名化合物

PRODUCTS

生成物

$结构：CC(C)(C)OC(=O)COC(=O)COc1ccc(CCC(=O)N2CCC3(CC2)CN/C(=N\C(=O)c2nc(Cl)c(N)nc2N)N3)cc1$

HCID178451379

未命名化合物

PROCEDURE

实验过程

The title compound was prepared analogously to [4-(3-{2-[(E)-3,5-diamino-6-chloro-pyrazine-2-carbonylimino]-1,3,8-triaza-spiro[4.5]dec-8-yl}-3-oxo-propyl)-phenoxy]-acetic acid dipropylcarbamoylmethyl ester (Ex. 2.0) by replacing 2-chloro-N,N-dipropyl-acetamide with t-butyl bromoacetate; 1H NMR (400 MHz, DMSO-d6) δ 8.45 (1H, br), 8.37 (1H, br), 7.16 (2H, d), 6.85 (2H, d), 6.8-6.6 (2H, br), 4.83 (2H, s), 4.64 (2H, s), 3.61 (1H, m), 3.58 (1H, m), 3.39 (2H, s), 3.38 (1H, m), 3.30 (1H, m), 2.75 (2H, t), 2.59 (2H, t), 1.60 (4H, m), 1.42 (9H, s). LC-MS Rt 4.27 mins; 645.3 [M+H]+, Method 10minLC_v002.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17d17d43289d46168072212de39c7769
来源数据集: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08372845B2
来源说明: uspto-grants-2013_02

反应 SMILES

C(N(CCC)[C:5]([CH2:7][O:8][C:9](=[O:44])[CH2:10][O:11][C:12]1[CH:17]=[CH:16][C:15]([CH2:18][CH2:19][C:20]([N:22]2[CH2:43][CH2:42][C:25]3([NH:29]/[C:28](=[N:30]/[C:31]([C:33]4[C:38]([NH2:39])=[N:37][C:36]([NH2:40])=[C:35]([Cl:41])[N:34]=4)=[O:32])/[NH:27][CH2:26]3)[CH2:24][CH2:23]2)=[O:21])=[CH:14][CH:13]=1)=[O:6])CC.BrCC([O:52][C:53]([CH3:56])([CH3:55])[CH3:54])=O>>[C:53]([O:52][C:5]([CH2:7][O:8][C:9](=[O:44])[CH2:10][O:11][C:12]1[CH:13]=[CH:14][C:15]([CH2:18][CH2:19][C:20]([N:22]2[CH2:23][CH2:24][C:25]3([NH:29]/[C:28](=[N:30]/[C:31]([C:33]4[C:38]([NH2:39])=[N:37][C:36]([NH2:40])=[C:35]([Cl:41])[N:34]=4)=[O:32])/[NH:27][CH2:26]3)[CH2:42][CH2:43]2)=[O:21])=[CH:16][CH:17]=1)=[O:6])([CH3:56])([CH3:55])[CH3:54]