HRID36227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCc1nn(CCCOC(=O)N(C)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19939465

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(CCCOC(=O)N(C)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441926

未命名化合物

收率 68%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

PROCEDURE

实验过程

Deprotection of 5-n-butyl-2,4-dihydro-2-[3-(N-methyl-N-phenylcarbamoyloxy)propyl]-4-[[2'-(N-trityltetrazol-5-yl)biphenyl-4-yl]methyl]-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 (35 mL for 0.13 mmole, gradient elution using 2-10% MeOH/CH2Cl2) to give the desired material as a foam in 68% yield, homogeneous by TLC in 10% MeOH/CH2Cl2, mass spectrum (FAB) m/e 567 (M+1)+.

WORKUP

后处理

customchromatographed over silica gel (35 mL for 0.13 mmole, gradient elution using 2-10% MeOH/CH2Cl2)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92210ba63b8f4b199b918f4dda0aefc4
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

[CH2:1]([C:5]1[N:6]([CH2:25][C:26]2[CH:31]=[CH:30][C:29]([C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=3[C:38]3[N:42](C(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC=CC=4)[N:41]=[N:40][N:39]=3)=[CH:28][CH:27]=2)[C:7](=[O:24])[N:8]([CH2:10][CH2:11][CH2:12][O:13][C:14](=[O:23])[N:15]([CH3:22])[C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[N:9]=1)[CH2:2][CH2:3][CH3:4]>C(O)(=O)C>[CH2:1]([C:5]1[N:6]([CH2:25][C:26]2[CH:27]=[CH:28][C:29]([C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=3[C:38]3[NH:42][N:41]=[N:40][N:39]=3)=[CH:30][CH:31]=2)[C:7](=[O:24])[N:8]([CH2:10][CH2:11][CH2:12][O:13][C:14](=[O:23])[N:15]([CH3:22])[C:16]2[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=2)[N:9]=1)[CH2:2][CH2:3][CH3:4]