HRID987035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15007

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

C15H22O3

HCID2775110

(3,5-Di-tert-butyl-4-hydroxyphenyl)acetic acid

C16H24O3

结构：CC(C)(C)c1cc(C(=O)N2CCN(c3ccc(NC(=N)c4cccs4)cc3)CC2)cc(C(C)(C)C)c1O.Cl

HCID178441075

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(CC(=O)N2CCN(c3ccc(NC(=N)c4cccs4)cc3)CC2)cc(C(C)(C)C)c1O.Cl

HCID178440952

未命名化合物

PROCEDURE

实验过程

The experimental protocol used is the same as that described for the compound 9, with 3,5-di-tert-butyl-4-hydroxyphenylacetic acid replacing the 3,5-di-tert-butyl-4-hydroxybenzoic acid in the first stage of synthesis. Yellow powder. Melting point: 176-180° C.

WORKUP

后处理

customin the first stage of synthesis

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8df730272fa846088ab62858cd489485
来源数据集: uspto-grants-2003_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06630461B2
来源说明: uspto-grants-2003_10

反应 SMILES

[ClH:1].CC(C1C=C(C=C(C(C)(C)C)C=1O)[C:9]([N:11]1[CH2:16][CH2:15][N:14]([C:17]2[CH:22]=[CH:21][C:20]([NH:23][C:24]([C:26]3[S:27][CH:28]=[CH:29][CH:30]=3)=[NH:25])=[CH:19][CH:18]=2)[CH2:13][CH2:12]1)=[O:10])(C)C.[C:39]([C:43]1[CH:44]=[C:45]([CH2:54]C(O)=O)[CH:46]=[C:47]([C:50]([CH3:53])([CH3:52])[CH3:51])[C:48]=1[OH:49])([CH3:42])([CH3:41])[CH3:40].C(C1C=C(C=C(C(C)(C)C)C=1O)C(O)=O)(C)(C)C>>[ClH:1].[CH3:42][C:39]([C:43]1[CH:44]=[C:45]([CH2:54][C:9]([N:11]2[CH2:12][CH2:13][N:14]([C:17]3[CH:22]=[CH:21][C:20]([NH:23][C:24]([C:26]4[S:27][CH:28]=[CH:29][CH:30]=4)=[NH:25])=[CH:19][CH:18]=3)[CH2:15][CH2:16]2)=[O:10])[CH:46]=[C:47]([C:50]([CH3:53])([CH3:52])[CH3:51])[C:48]=1[OH:49])([CH3:40])[CH3:41]