HRID242481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8431

1-Piperazinecarboxylic acid, ethyl ester

C7H14N2O2

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：CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)n2nc(-c3cc(F)c(F)cc3F)c3c2CCN(C)C3)C(C)(C)C)CC1

HCID46862678

未命名化合物

PROCEDURE

实验过程

Compound 77 was prepared according to the procedure described for the synthesis of compound 72 by replacing leucine amide with ethyl piperazine-1-carboxylate. LCMS (+ESI) m/z=565.4 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a267af2aab7d4d05918f2eac2a9ec763
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

NC(=O)[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]C(C)C.[N:39]1([C:45]([O:47][CH2:48][CH3:49])=[O:46])CCN[CH2:41][CH2:40]1>>[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[CH2:41][CH2:40][N:39]([C:45]([O:47][CH2:48][CH3:49])=[O:46])[CH2:4][CH2:3]1)=[O:37]