HRID1667369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53718217

未命名化合物

2 次

结构：Cc1cc(C(=O)c2ccc(=O)n(-c3c(F)cc(OCCCOS(C)(=O)=O)cc3F)c2N)ccc1F

HCID57658377

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)c2ccc(=O)n(-c3c(F)cc(OCCCN[C@@H](CC(C)C)C(=O)OC4CCCC4)cc3F)c2N)ccc1F

HCID57658432

未命名化合物

PROCEDURE

实验过程

From Intermediate 4D and L-leucine cyclopentyl ester (Intermediate 8), LCMS purity 100%, m/z 614 [M+H]+, 1H NMR (400 MHz, d6-DMSO), δ: 0.90 (6H, m), 1.60-1.70 (10H, m), 1.90 (2H, m), 2.15 (2H, m), 2.30 (3H, s), 3.00-3.20 (2H, m), 4.10 (1H, s), 4.20 (2H, m), 5.25 (1H, m), 5.70 (1H, d), 7.05 (1H, d), 7.25 (1H, m), 7.40 (1H, m), 7.50 (1H, m), 7.60 (1H, d).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6367e241a9a4b7cbba26c5b1ed273f2
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])=[C:29]([CH3:34])[CH:28]=1.[CH:36]1([O:41][C:42](=[O:49])[C@H:43]([CH2:45][CH:46]([CH3:48])[CH3:47])[NH2:44])[CH2:40][CH2:39][CH2:38][CH2:37]1>>[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:44][C@@H:43]([CH2:45][CH:46]([CH3:47])[CH3:48])[C:42]([O:41][CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40]3)=[O:49])=[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])=[C:29]([CH3:34])[CH:28]=1