HRID1295436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID84468

Trifluoroacetate

C2F3O2-

反应SMILES：CCOC(=O)C(C#N)=NOC(N(C)C)=[N+](C)C.F[B-](F)(F)F

HCID2733286

未命名化合物

反应SMILES：CC(C)(C)OC(=O)C[C@H](N)C(=O)OC(C)(C)C

HCID7269469

D-aspartic acid di-t-butyl ester

C12H23NO4

反应SMILES：CC(=O)Nc1ccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1

HCID9902940

未命名化合物

2 次

PRODUCTS

产物

反应SMILES：CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)C1

HCID69511683

未命名化合物

PROCEDURE

实验过程

300 mg (0.9 mmol) of 3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzoic acid (Example 14, intermediate 5) were reacted in a similar manner to the method described in Example 14 with 304 mg (1.0 mmol) of di-tert-butyl aspartate in a TOTU-mediated coupling reaction to obtain 170 mg of the title compound as the trifluoroacetate after purification on a preparative HPLC.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f880502db3a94d78accc02d72af65919
来源数据集: uspto-grants-2007_07
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US07241775B2
来源说明: uspto-grants-2007_07

反应SMILES

[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[C:10]([Cl:12])[CH:11]=1)[CH2:8][N:7]([CH3:13])[CH2:6][CH:5]2[C:14]1[CH:19]=[CH:18][C:17](NC(=O)C)=[CH:16][CH:15]=1.[NH2:24][C@H:25]([C:34]([O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[O:35])[CH2:26][C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28].[B-](F)(F)(F)F.C[CH2:47][O:48]C(C(C#N)=NOC(N(C)C)=[N+](C)C)=O.FC(F)(F)C([O-])=O>>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[C:10]([Cl:12])[CH:11]=1)[CH2:8][N:7]([CH3:13])[CH2:6][CH:5]2[C:14]1[CH:19]=[C:18]([CH:17]=[CH:16][CH:15]=1)[C:47]([NH:24][C@@H:25]([CH2:26][C:27]([O:29][C:30]([CH3:32])([CH3:33])[CH3:31])=[O:28])[C:34]([O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[O:35])=[O:48]