HRID242480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10374482

N-methyl-L-prolinamide

C6H12N2O

结构：CC(C)C[C@H](NC(=O)[C@@H](NC(=O)n1nc(-c2cc(F)c(F)cc2F)c2c1CCN(C)C2)C(C)(C)C)C(N)=O

HCID46861923

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)n1nc(-c2cc(F)c(F)cc2F)c2c1CCN(C)C2)C(C)(C)C

HCID59345313

未命名化合物

PROCEDURE

实验过程

Compound 76 was prepared according to the procedure for the synthesis of compound 72 by replacing leucine amide with (S)-N-methylpyrrolidine-2-carboxamide. LCMS (+ESI) m/z=535.2 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af9b1221eb3e44b1903056759152e5ae
来源数据集: uspto-grants-2014_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08653127B2
来源说明: uspto-grants-2014_02

反应 SMILES

[NH2:1][C:2](=[O:38])[C@@H:3]([NH:8][C:9](=[O:37])[C@@H:10]([NH:15][C:16]([N:18]1[C:26]2[CH2:25][CH2:24][N:23]([CH3:27])[CH2:22][C:21]=2[C:20]([C:28]2[CH:33]=[C:32]([F:34])[C:31]([F:35])=[CH:30][C:29]=2[F:36])=[N:19]1)=[O:17])[C:11]([CH3:14])([CH3:13])[CH3:12])[CH2:4][CH:5]([CH3:7])C.[CH3:39]NC([C@@H]1CCCN1)=O>>[CH3:14][C:11]([CH3:12])([CH3:13])[C@H:10]([NH:15][C:16]([N:18]1[C:26]2[CH2:25][CH2:24][N:23]([CH3:27])[CH2:22][C:21]=2[C:20]([C:28]2[CH:33]=[C:32]([F:34])[C:31]([F:35])=[CH:30][C:29]=2[F:36])=[N:19]1)=[O:17])[C:9]([N:8]1[CH2:7][CH2:5][CH2:4][C@H:3]1[C:2](=[O:38])[NH:1][CH3:39])=[O:37]