HRID1667376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7021798

(R)-tert-Butyl 2-amino-4-methylpentanoate

C10H21NO2

结构：CS(=O)(=O)OCCCOc1cc(F)c(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)c(F)c1

HCID57658359

未命名化合物

PRODUCTS

生成物

结构：CC(C)C[C@@H](NCCCOc1cc(F)c(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)c(F)c1)C(=O)OC(C)(C)C

HCID57658354

未命名化合物

PROCEDURE

实验过程

From Intermediate 4F and D-Leucine tert-butyl ester, LCMS purity 95%, m/z 606 [M+H]+, 1H NMR (300 MHz, DMSO), δ: 9.30-9.00 (2H, m), 7.62-7.52 (1H, m), 7.47-7.32 (2H, m), 7.28-7.12 (1H, m), 7.06 (2H, d, J=10.2 Hz), 5.73 (1H, d, J=9.6 Hz), 4.20 (2H, t, J=5.7 Hz), 3.99 (1H, br s), 3.25-2.95 (2H, m), 2.20-2.05 (2H, m), 1.80-1.60 (3H, m), 1.49 (9H, s), 0.95 (6H, d, J=4.8 Hz).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f948078935be429aa0dc2b875b7d7150
来源数据集: uspto-grants-2011_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08044211B2
来源说明: uspto-grants-2011_10

反应 SMILES

[NH2:1][C:2]1[N:7]([C:8]2[C:22]([F:23])=[CH:21][C:11]([O:12][CH2:13][CH2:14][CH2:15]OS(C)(=O)=O)=[CH:10][C:9]=2[F:24])[C:6](=[O:25])[CH:5]=[CH:4][C:3]=1[C:26](=[O:35])[C:27]1[CH:32]=[CH:31][C:30]([F:33])=[CH:29][C:28]=1[F:34].[C:36]([O:40][C:41](=[O:48])[C@@H:42]([CH2:44][CH:45]([CH3:47])[CH3:46])[NH2:43])([CH3:39])([CH3:38])[CH3:37]>>[NH2:1][C:2]1[N:7]([C:8]2[C:22]([F:23])=[CH:21][C:11]([O:12][CH2:13][CH2:14][CH2:15][NH:43][C@@H:42]([C:41]([O:40][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:48])[CH2:44][CH:45]([CH3:46])[CH3:47])=[CH:10][C:9]=2[F:24])[C:6](=[O:25])[CH:5]=[CH:4][C:3]=1[C:26](=[O:35])[C:27]1[CH:32]=[CH:31][C:30]([F:33])=[CH:29][C:28]=1[F:34]