HRID1489310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2723847

5-Amino-1,3,4-thiadiazole-2-thiol

C2H3N3S2

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)cc1.CC(C)[C@H](N)C(=O)O

HCID22878154

未命名化合物

PRODUCTS

生成物

结构：CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1n[nH]c(=S)s1

HCID9939884

未命名化合物

PROCEDURE

实验过程

(4-(4-t-Butylphenylsulfonylamino)benzoyl)-phenylalanine-valine, (0.48 grams) 1-hydroxybenzotriazole (0.15 grams), dicyclohexylcarbodiimide (0.17 grams) and 5-amino-1,3,4-thiadiazole-2-thione (0.5 grams) were reacted according to the procedure described in Example 1. The resulting product was recrystallized from ethanol/pentane to give a white solid. M.P. 140°-144° C. NMR spectrum (d6 -DMSO) 14.1 (s, 1H), 12.6,12.5 (s,s, 1H), 10.8 (s, 1H), 8.6-8.2, 7.8-7.4, 7.4-7.0 (m, 15 H, NM+aromatics), 4.8 (m, 1H), 4.35 (m, 1H), 3.5-2.8 (m, 2H), 2.05 (m, 1H), 1.2 (s, 9H), 0.85 (bs, 6H).

WORKUP

后处理

customThe resulting product was recrystallized from ethanol/pentane
customto give a white solid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0830aa79dd4c40b4a0320636638c8e38
来源数据集: uspto-grants-1997_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05677282
来源说明: uspto-grants-1997_10

反应 SMILES

[C:1]([C:5]1[CH:10]=[CH:9][C:8]([S:11]([NH:14][C:15]2[CH:34]=[CH:33][C:18]([C:19]([NH:21][C@H:22]([C:30](O)=[O:31])[CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)=[O:20])=[CH:17][CH:16]=2)(=[O:13])=[O:12])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH2:35][C@H:36]([C:40]([OH:42])=O)[CH:37]([CH3:39])[CH3:38].ON1C2C=CC=CC=2N=N1.C1(N=C=NC2CCCCC2)CCCCC1.[NH2:68][C:69]1[S:73][C:72](=[S:74])[NH:71][N:70]=1>>[C:1]([C:5]1[CH:10]=[CH:9][C:8]([S:11]([NH:14][C:15]2[CH:34]=[CH:33][C:18]([C:19]([NH:21][C@H:22]([C:30]([NH:35][C@H:36]([C:40]([NH:68][C:69]3[S:73][C:72](=[S:74])[NH:71][N:70]=3)=[O:42])[CH:37]([CH3:39])[CH3:38])=[O:31])[CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)=[O:20])=[CH:17][CH:16]=2)(=[O:12])=[O:13])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2]