HRID1954013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)O)=C(COC(=O)c3cccc(Cc4cc(Cl)cc(Cc5ccccc5O)c4O)c3O)CS[C@H]12

HCID70246610

未命名化合物

结构：CC(C)(C)OC(=O)C1=C(COC(=O)c2cccc(C(=O)c3cc(Cl)cc(C(=O)c4ccccc4O)c3O)c2O)CS[C@@H]2C(NC(=O)COc3ccccc3)C(=O)N12

HCID131721998

未命名化合物

PRODUCTS

生成物

结构：O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)O)=C(COC(=O)c3cccc(C(=O)c4cc(Cl)cc(C(=O)c5ccccc5O)c4O)c3O)CS[C@H]12

HCID131722000

未命名化合物

收率 94.2%

PROCEDURE

实验过程

Compound 20 (3.21 g, 4.23 mmol) was prepared from 18 (3.66 g, 4.49 mmol) in 94% yield by the method used for the preparation of 19. For 20: mp 180-182° C.; 1H NMR (DMSO-d6 /D2O) d 3.69, 3.81 (AB, Jgem =19 Hz, 2H, CH2S), 4.61 (s, 2H, OCH2CO), 4.93, 5.20 (AB, Jgem =14 Hz, 2H, CH2O), 5.20 (d, J=5.0 Hz, 1H, HC(6)), 5.77 (d, J=5.0 Hz, 1H, HC(7)), 6.96-7.53 (m, 14H, 4×ArH); IR (nujol): 3270-3400 (OH, NH, CO2H)), 1788 (β-lactam), 1725 (ester), 1680 (amide), 1620-1635 (C=O) cm-1. Anal. (C37H27N2O12SCl) C, H, N, S, Cl.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55bacef603e94fa19d94b5a96567f2ab
来源数据集: uspto-grants-2000_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06121255
来源说明: uspto-grants-2000_09

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]([C:49](=[O:57])[C:50]2[CH:55]=[CH:54][CH:53]=[CH:52][C:51]=2[OH:56])[C:5]([OH:48])=[C:6]([CH:47]=1)[C:7]([C:9]1[C:10]([OH:46])=[C:11]([CH:43]=[CH:44][CH:45]=1)[C:12]([O:14][CH2:15][C:16]1[CH2:17][S:18][C@@H:19]2[CH:30]([NH:31][C:32](=[O:41])[CH2:33][O:34][C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[C:29](=[O:42])[N:20]2[C:21]=1[C:22]([O:24]C(C)(C)C)=[O:23])=[O:13])=[O:8].ClC1C=C(CC2C=CC=CC=2O)C(O)=C(C=1)CC1C(O)=C(C=CC=1)C(OCC1CS[C@@H]2C(NC(=O)COC3C=CC=CC=3)C(=O)N2C=1C(O)=O)=O>>[Cl:1][C:2]1[CH:3]=[C:4]([C:49](=[O:57])[C:50]2[CH:55]=[CH:54][CH:53]=[CH:52][C:51]=2[OH:56])[C:5]([OH:48])=[C:6]([CH:47]=1)[C:7]([C:9]1[C:10]([OH:46])=[C:11]([CH:43]=[CH:44][CH:45]=1)[C:12]([O:14][CH2:15][C:16]1[CH2:17][S:18][C@@H:19]2[CH:30]([NH:31][C:32](=[O:41])[CH2:33][O:34][C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[C:29](=[O:42])[N:20]2[C:21]=1[C:22]([OH:24])=[O:23])=[O:13])=[O:8]