HRID2087060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75659

Hexane, 1-isocyanato-

C7H13NO

结构：COC1C(OC(C(NCCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCNC(=N)N2)C(O)C(C)C)C(=O)O)C2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CN)C1O

HCID178493898

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN1C(=O)C([C@@H](OC2O[C@H](CN)[C@H](O)[C@H]2OC)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)N(CCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCNC(=N)N2)C(O)C(C)C)C1=O

HCID178444718

未命名化合物

收率 56.9%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

溶剂HCID1049

Pyridine

C5H5N

溶剂HCID31261

2,4-Pentanedione

C5H8O2

PROCEDURE

实验过程

The title compound is prepared by the procedure of Example 1, using 47.3 mg (50 μmol) of 16-({[5-(aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}{5-[2,4-dioxo-3,4-dihydro-1 (2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-furanyl}methyl)-9-(1-hydroxy-2-methylpropyl)-6-(2-iminohexahydro-4-pyrimidinyl)-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (λmax nm in water=259) in 3.0 ml of methanol, 200 μl of pyridine, 200 μl of 2,4-pentanedione and 50 μmol of hexylisocyanate to give 15 mg of the desired product.

WORKUP

后处理

customThe title compound is prepared by the procedure of Example 1

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78e5f662f52240529c6c5f68b3d647b7
来源数据集: uspto-grants-2004_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06727232B2
来源说明: uspto-grants-2004_04

反应 SMILES

[NH2:1][CH2:2][CH:3]1[O:7][CH:6]([O:8][CH:9]([CH:49]2[CH:53]([OH:54])[CH:52]([OH:55])[CH:51]([N:56]3[CH:61]=[CH:60][C:59](=[O:62])[NH:58][C:57]3=[O:63])[O:50]2)[CH:10]([C:46](O)=[O:47])[NH:11][CH2:12][CH2:13][CH2:14][NH:15][C:16](=[O:45])[CH:17]([CH:40]([OH:44])C(C)C)[NH:18][C:19](=[O:39])[CH:20]([CH:32]2[CH2:37][CH2:36][NH:35][C:34](=[NH:38])[NH:33]2)[NH:21][C:22](=[O:31])[NH:23][CH:24](C(C)C)[C:25]([OH:27])=[O:26])[CH:5]([O:64][CH3:65])[CH:4]1[OH:66].[CH2:67]([N:73]=[C:74]=[O:75])[CH2:68][CH2:69][CH2:70][CH2:71][CH3:72]>CO.N1C=CC=CC=1.CC(=O)CC(=O)C>[NH2:1][CH2:2][C@H:3]1[O:7][CH:6]([O:8][C@@H:9]([C@@H:49]2[C@@H:53]([OH:54])[C@@H:52]([OH:55])[C@H:51]([N:56]3[CH:61]=[CH:60][C:59](=[O:62])[NH:58][C:57]3=[O:63])[O:50]2)[CH:10]2[N:11]([CH2:12][CH2:13][CH2:14][NH:15][C:16](=[O:45])[CH:17]([CH:40]([OH:44])[CH:9]([CH3:49])[CH3:10])[NH:18][C:19](=[O:39])[CH:20]([CH:32]3[CH2:37][CH2:36][NH:35][C:34](=[NH:38])[NH:33]3)[NH:21][C:22](=[O:31])[NH:23][CH:24]([CH:3]([CH3:4])[CH3:2])[C:25]([OH:27])=[O:26])[C:74](=[O:75])[N:73]([CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72])[C:46]2=[O:47])[C@H:5]([O:64][CH3:65])[C@H:4]1[OH:66]