HRID36224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCc1nn(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19939470

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441911

未命名化合物

收率 91%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

PROCEDURE

实验过程

Deprotection of 2,4-bis[[2'-(N-trityltetrazol-5-yl)biphenyl-4-yl]methyl]-5-n-butyl-2,4-dihydro-3H-1,2,4-triazol-3-one in 50% aqueous acetic acid was accomplished by the procedure of Example 3, Step B. After work-up, the residue was flash chromatographed over silica gel (15 mL for 0.091 mmole, gradient elution using 2-30% MeOH/CH2Cl2) to give the desired material as a solid in 91% yield, homogeneous by TLC in 10% MeOH/CH2Cl2, mass spectrum (FAB) m/e 610 (M+1)+, mp 150°-151° C.

WORKUP

后处理

customchromatographed over silica gel (15 mL for 0.091 mmole, gradient elution using 2-30% MeOH/CH2Cl2)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-545abe8d7d494184a9f89d9c5ecce3cd
来源数据集: uspto-grants-1995_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05411980
来源说明: uspto-grants-1995_05

反应 SMILES

C([N:20]1[C:24]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=2[C:31]2[CH:36]=[CH:35][C:34]([CH2:37][N:38]3[C:42](=[O:43])[N:41]([CH2:44][C:45]4[CH:50]=[CH:49][C:48]([C:51]5[CH:56]=[CH:55][CH:54]=[CH:53][C:52]=5[C:57]5[N:61](C(C6C=CC=CC=6)(C6C=CC=CC=6)C6C=CC=CC=6)[N:60]=[N:59][N:58]=5)=[CH:47][CH:46]=4)[C:40]([CH2:81][CH2:82][CH2:83][CH3:84])=[N:39]3)=[CH:33][CH:32]=2)=[N:23][N:22]=[N:21]1)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>C(O)(=O)C>[NH:23]1[C:24]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=2[C:31]2[CH:36]=[CH:35][C:34]([CH2:37][N:38]3[C:42](=[O:43])[N:41]([CH2:44][C:45]4[CH:50]=[CH:49][C:48]([C:51]5[CH:56]=[CH:55][CH:54]=[CH:53][C:52]=5[C:57]5[NH:58][N:59]=[N:60][N:61]=5)=[CH:47][CH:46]=4)[C:40]([CH2:81][CH2:82][CH2:83][CH3:84])=[N:39]3)=[CH:33][CH:32]=2)=[N:20][N:21]=[N:22]1