HRID2385626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733845

N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

C9H17NO4

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(CC(=O)NCC(C)(C)O)C3)ccc1-2

HCID67050528

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C3)ccc1-2

HCID67050555

未命名化合物

PROCEDURE

实验过程

Following a similar method to N-(2-hydroxy-2-methyl-propyl)-2-{3-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-acetamide using Boc-Aib-OH, (2-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-1,1-dimethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester was isolated as a colourless oil (203 mg, 59%). LCMS: RT=4.77 min, [M+H]+=553

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-546f818ba5d6458ca2f140578e24c4e0
来源数据集: uspto-grants-2012_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08263633B2
来源说明: uspto-grants-2012_09

反应 SMILES

OC(C)(C)CNC(=O)C[N:7]1[CH2:10][CH:9]([C:11]2[CH:32]=[CH:31][C:14]3[C:15]4[N:16]=[C:17]([C:23]5[N:24]([CH:28]([CH3:30])[CH3:29])[N:25]=[CH:26][N:27]=5)[S:18][C:19]=4[CH2:20][CH2:21][O:22][C:13]=3[CH:12]=2)[CH2:8]1.[NH:36]([C:43]([O:45][C:46]([CH3:49])([CH3:48])[CH3:47])=[O:44])[C:37]([C:40]([OH:42])=O)([CH3:39])[CH3:38]>>[C:46]([O:45][C:43](=[O:44])[NH:36][C:37]([CH3:38])([CH3:39])[C:40]([N:7]1[CH2:10][CH:9]([C:11]2[CH:32]=[CH:31][C:14]3[C:15]4[N:16]=[C:17]([C:23]5[N:24]([CH:28]([CH3:30])[CH3:29])[N:25]=[CH:26][N:27]=5)[S:18][C:19]=4[CH2:20][CH2:21][O:22][C:13]=3[CH:12]=2)[CH2:8]1)=[O:42])([CH3:49])([CH3:48])[CH3:47]