HRID339254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7009590

未命名化合物

结构：CC(C)(C)OC(=O)N1Cc2cc(OS(=O)(=O)C(F)(F)F)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21

HCID86705865

未命名化合物

结构：CC(C)(C)[C@H](N)C(=O)N1Cc2cc([N+](=O)[O-])ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21

HCID86705893

未命名化合物

PRODUCTS

生成物

结构：C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc([N+](=O)[O-])ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C)N(C)C(=O)OC(C)(C)C

HCID86705892

未命名化合物

收率 97%

PROCEDURE

实验过程

Following a procedure analogous to that for the synthesis of Compound D, (S)-2-((S)-2-amino-3,3-dimethylbutanoyl)-7-nitro-N—((R)-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (2.17 g, 4.67 mmol) and (S)-2-((tert-butoxycarbonyl)(methyl)amino)propanoic acid (Advanced ChemTech, 0.95 g, 4.67 mmol) were converted to the title compound (2.93 g, 97%). MS (ESI+) m/z 650.5 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5145be7d8c58417c9b3cc1187892a9ff
来源数据集: uspto-grants-2014_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08889712B2
来源说明: uspto-grants-2014_11

反应 SMILES

[C@H]1(N[C:12]([C@@H:14]2[CH2:23]C3C(=CC(OS(C(F)(F)F)(=O)=O)=CC=3)[CH2:16][N:15]2[C:32]([O:34][C:35]([CH3:38])([CH3:37])[CH3:36])=[O:33])=[O:13])C2C(=CC=CC=2)CCC1.[NH2:39][C@@H:40]([C:69]([CH3:72])([CH3:71])[CH3:70])[C:41]([N:43]1[C@H:52]([C:53]([NH:55][C@H:56]2[C:65]3[C:60](=[CH:61][CH:62]=[CH:63][CH:64]=3)[CH2:59][CH2:58][CH2:57]2)=[O:54])[CH2:51][C:50]2[C:45](=[CH:46][C:47]([N+:66]([O-:68])=[O:67])=[CH:48][CH:49]=2)[CH2:44]1)=[O:42].C(OC(N(C)[C@@H](C)C(O)=O)=O)(C)(C)C>>[CH3:70][C:69]([CH3:72])([CH3:71])[C@H:40]([NH:39][C:12](=[O:13])[C@@H:14]([N:15]([CH3:16])[C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:38])[CH3:37])[CH3:23])[C:41]([N:43]1[C@H:52]([C:53](=[O:54])[NH:55][C@H:56]2[C:65]3[C:60](=[CH:61][CH:62]=[CH:63][CH:64]=3)[CH2:59][CH2:58][CH2:57]2)[CH2:51][C:50]2[C:45](=[CH:46][C:47]([N+:66]([O-:68])=[O:67])=[CH:48][CH:49]=2)[CH2:44]1)=[O:42]