HRID2188462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID77604

3-(4-Chlorobenzoyl)propionic acid

C10H9ClO3

HCID439744

3-Iodo-L-tyrosine

C9H10INO3

结构：CCOC(=O)COc1ccc(C[C@H](N)C(=O)OCc2ccccc2)cc1C(=O)OCC

HCID57257659

未命名化合物

4 次

结构：CCOC(=O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1C(=O)OCC

HCID70160131

未命名化合物

2 次

结构：CCOC(=O)COc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCc2ccccc2)cc1C(=O)OCC

HCID70160837

未命名化合物

PRODUCTS

生成物

结构：CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)C[C@@H](Cc1ccccc1)C(=O)O

HCID70160942

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy with the preparation of the compound of Example 151 above. MS (FAB) m/z (rel. intensity) 543 (MH+, 25), 544 (9), 543 (25), 309 (15), 263 (9), 233 (10), 231 (48), 154 (99), 137 (58), 109 (15), 91 (16). MS (FAB) m/z (rel. intensity) 543 (MH+, 99), 565 (20), 544 (33), 543 (99), 238 (25), 117 (16), 107 (16), 88 (58), 43 (23), 41 (16), 23 (17). HRMS (FAB) calcd for C28H34N2O9+H1 543.2343, found 543.2353. Anal. Calcd for C28H34N2O9: C, 61.98; H, 6.32; N, 5.16. Found: C, 60.35; H, 6.35; N, 4.89.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0849198a13874ac2825be787f584b42e
来源数据集: uspto-grants-2002_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06410585B1
来源说明: uspto-grants-2002_06

反应 SMILES

C(O[C:9](=[O:38])[C@@H:10]([NH:30][C:31]([O:33]C(C)(C)C)=O)[CH2:11][C:12]1[CH:13]=[CH:14][C:15]([O:23][CH2:24][C:25]([O:27]CC)=[O:26])=[C:16]([CH:22]=1)[C:17]([O:19]CC)=[O:18])C1C=CC=CC=1.I[C:40]1[CH:41]=[C:42]([CH:49]=[CH:50][C:51]=1O)[CH2:43][C@@H:44]([C:46]([OH:48])=[O:47])N.[NH2:53][C@H:54](C(OCC1C=CC=CC=1)=O)[CH2:55][C:56]1C=CC(OCC(OCC)=O)=[C:60]([CH:66]=1)C(OCC)=O.Cl[C:85]1C=CC(C(CCC(O)=O)=O)=CC=1.C(OC(=O)[C@@H](NC(OCC1C2C=CC=CC=2C2C1=CC=CC=2)=O)CC1C=CC(OCC(OCC)=O)=C(C=1)C(OCC)=O)C1C=CC=CC=1>>[C:25]([CH2:24][O:23][C:15]1[CH:14]=[CH:13][C:12]([CH2:11][C@H:10]([NH:30][C:31](=[O:33])[CH2:85][C@H:44]([C:46]([OH:48])=[O:47])[CH2:43][C:42]2[CH:49]=[CH:50][CH:51]=[CH:40][CH:41]=2)[C:9](=[O:38])[NH:53][CH2:54][CH2:55][CH2:56][CH2:66][CH3:60])=[CH:22][C:16]=1[C:17]([OH:19])=[O:18])([OH:27])=[O:26]