HRID1667368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

结构：Cc1ccc(S(=O)(=O)O)cc1.N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1

HCID86629432

未命名化合物

2 次

PRODUCTS

生成物

结构：Cc1cc(C(=O)c2ccc(=O)n(-c3c(F)cc(OCCCN[C@@H](Cc4ccccc4)C(=O)OC4CCCC4)cc3F)c2N)ccc1F

HCID57658343

未命名化合物

PROCEDURE

实验过程

From Intermediate 4D and L-phenylalanine cyclopentyl ester tosylate salt (Intermediate 16), LCMS purity 97%, m/z 648 [M+H]+, 1H NMR (400 MHz, CD3OD), δ: 1.20-1.90 (9H, m), 2.25 (2H, m), 2.35 (3H, s), 3.15 (1H, m), 3.45 (1H, m), 4.25 (2H, m), 4.40 (1H, d), 5.20 (2H, m), 5.82 (1H, d), 6.95 (2H, m), 7.20 (1H, m), 7.30-7.50 (7H, m), 7.75 (1H, d).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fceea83f9f3848489f389e566970bb58
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.S(C1C=CC(C)=CC=1)(O)(=O)=O.[CH:47]1([O:52][C:53](=[O:63])[C@H:54]([CH2:56][C:57]2[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=2)[NH2:55])[CH2:51][CH2:50][CH2:49][CH2:48]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:55][C@@H:54]([CH2:56][C:57]3[CH:58]=[CH:59][CH:60]=[CH:61][CH:62]=3)[C:53]([O:52][CH:47]3[CH2:51][CH2:50][CH2:49][CH2:48]3)=[O:63])=[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