HRID480226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID138205

3-Isopropyl-2-methylphenol

C10H14O

HCID444972

Fumaric acid

C4H4O4

结构：Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1

HCID135398658

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(OC(=O)CCC(NC(=O)c2ccc(NCc3cnc4c(n3)=C(O)NC(N)N=4)cc2)C(=O)O)ccc(O)c1OC(=O)/C=C/C(=O)O

HCID178439734

未命名化合物

PROCEDURE

实验过程

A second antimicrobial compound was formed by combining the isopropyl-o-cresol from Example 2 with fumaric acid and folic acid. (E)-4-[3-({4-[(4-{[(2-amino-4-hydroxy-2,3-dihydro-6-pteridinyl)methyl]amino}benzoyl)amino]-4-carboxybutanoyl}oxy)-6-hydroxy-2-isopropylphenoxy]-4-oxo-2-butenoic acid (fumo-cresol-folin or FCF), was formed by combining 50 grams isopropyl-o-cresol was combined with 25 ml fumaric acid (90% purity), and 25 ml folic acid (95% purity). The mixture was heated to a temperature of 80° C. and mixed in a high speed turbo mixer for 3 minutes at a speed of 1,000 revolutions per minute.

WORKUP

后处理

customA second antimicrobial compound was formed

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f7509fbf55a443faba166e55d7d2ec8
来源数据集: uspto-grants-2003_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06649660B2
来源说明: uspto-grants-2003_11

反应 SMILES

[CH:1]([C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([OH:10])[C:5]=1C)([CH3:3])[CH3:2].[C:12]([OH:19])(=[O:18])/[CH:13]=[CH:14]/[C:15]([OH:17])=[O:16].[C:20]([OH:51])(=[O:50])[CH2:21][CH2:22][C@H:23]([NH:27][C:28]([C:30]1[CH:49]=[CH:48][C:33]([NH:34][CH2:35][C:36]2[N:47]=[C:46]3[C:39]([N:40]=[C:41]([NH:43][C:44]3=[O:45])[NH2:42])=[N:38][CH:37]=2)=[CH:32][CH:31]=1)=[O:29])[C:24]([OH:26])=[O:25]>>[NH2:42][CH:41]1[NH:43][C:44]([OH:45])=[C:46]2[C:39]([N:38]=[CH:37][C:36]([CH2:35][NH:34][C:33]3[CH:32]=[CH:31][C:30]([C:28]([NH:27][CH:23]([C:24]([OH:26])=[O:25])[CH2:22][CH2:21][C:20]([O:51][C:9]4[C:4]([CH:1]([CH3:2])[CH3:3])=[C:5]([C:6]([OH:10])=[CH:7][CH:8]=4)[O:16][C:15](=[O:17])/[CH:14]=[CH:13]/[C:12]([OH:19])=[O:18])=[O:50])=[O:29])=[CH:49][CH:48]=3)=[N:47]2)=[N:40]1