HRID2175831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1c([C@H]2CN3CCNC[C@H]3CN2C(=O)OC(C)(C)C)ccc(F)c1C#N

HCID71271513

未命名化合物

结构：C=CCN1C[C@H]2CN(C(=O)OCc3ccccc3)CCN2C[C@H]1c1ccc(F)c(C#N)c1C

HCID86727056

未命名化合物

PRODUCTS

生成物

HCID71273710

未命名化合物

HCID86727055

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in an analogous fashion to that described for the synthesis of (3S,9aS)-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate starting from (7R,9aS)-benzyl 8-allyl-7-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate (obtained from the synthesis of (3S,9aR)-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate). LC/MS: 375.14 (M+1)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-077594b9de224da38216be72222d7998
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09062070B2
来源说明: uspto-grants-2015_06

反应 SMILES

[C:1]([C:3]1[C:4]([CH3:27])=[C:5]([C@H:10]2[CH2:15][N:14]3[CH2:16][CH2:17][NH:18][CH2:19][C@H:13]3[CH2:12][N:11]2[C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH:6]=[CH:7][C:8]=1[F:9])#[N:2].C(N1[C@H](C2C=CC(F)=C(C#N)C=2C)CN2CCN(C(OCC3C=CC=CC=3)=O)C[C@@H]2C1)C=C>>[C:1]([C:3]1[C:4]([CH3:27])=[C:5]([C@@H:10]2[CH2:15][N:14]3[CH2:16][CH2:17][NH:18][CH2:19][C@@H:13]3[CH2:12][N:11]2[C:20]([O:22][C:23]([CH3:25])([CH3:24])[CH3:26])=[O:21])[CH:6]=[CH:7][C:8]=1[F:9])#[N:2].[C:1]([C:3]1[C:4]([CH3:27])=[C:5]([C@H:10]2[CH2:15][N:14]3[CH2:16][CH2:17][NH:18][CH2:19][C@@H:13]3[CH2:12][N:11]2[C:20]([O:22][C:23]([CH3:25])([CH3:24])[CH3:26])=[O:21])[CH:6]=[CH:7][C:8]=1[F:9])#[N:2]