HRID993038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID68163

1H-1,4-Diazepine, hexahydro-

C5H12N2

HCID444972

Fumaric acid

C4H4O4

HCID18408492

未命名化合物

HCID18408530

未命名化合物

PRODUCTS

生成物

$结构：COc1cc(-c2ccc(CN3CCCN(Cc4ccc(-c5cc(OC)c(OC)c(OC)c5)s4)CC3)s2)cc(OC)c1OC.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O$

HCID86758583

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

PROCEDURE

实验过程

2-Hydroxymethyl-5-(3,4,5-trimethoxyphenyl)thiophene (230 mg) was treated in the same manner in Preparation Example 4 to synthesize 2-chloromethyl-5-(3,4,5-trimethoxyphenyl)thiophene. Since this product was unstable, it was immediately reacted with homopiperazine (41 mg) in the same manner in Example 1 without isolating it to obtain a product as a free base. This product was dissolved in methanol, and fumaric acid was added to the solution, thereby converting it into the title compound.

WORKUP

后处理

customwithout isolating it
customto obtain a product as a free base

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4ca4b5ccfb248a393a17706a874de75
来源数据集: uspto-grants-2002_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06472386B1
来源说明: uspto-grants-2002_10

反应 SMILES

O[CH2:2][C:3]1[S:4][C:5]([C:8]2[CH:13]=[C:12]([O:14][CH3:15])[C:11]([O:16][CH3:17])=[C:10]([O:18][CH3:19])[CH:9]=2)=[CH:6][CH:7]=1.Cl[CH2:21][C:22]1[S:23][C:24]([C:27]2[CH:32]=[C:31]([O:33][CH3:34])[C:30]([O:35][CH3:36])=[C:29]([O:37][CH3:38])[CH:28]=2)=[CH:25][CH:26]=1.[NH:39]1[CH2:45][CH2:44][CH2:43][NH:42][CH2:41][CH2:40]1.[C:46]([OH:53])(=[O:52])/[CH:47]=[CH:48]/[C:49]([OH:51])=[O:50]>CO>[C:46]([OH:53])(=[O:52])/[CH:47]=[CH:48]\[C:49]([OH:51])=[O:50].[C:46]([OH:53])(=[O:52])/[CH:47]=[CH:48]\[C:49]([OH:51])=[O:50].[CH3:19][O:18][C:10]1[CH:9]=[C:8]([C:5]2[S:4][C:3]([CH2:2][N:39]3[CH2:45][CH2:44][CH2:43][N:42]([CH2:21][C:22]4[S:23][C:24]([C:27]5[CH:32]=[C:31]([O:33][CH3:34])[C:30]([O:35][CH3:36])=[C:29]([O:37][CH3:38])[CH:28]=5)=[CH:25][CH:26]=4)[CH2:41][CH2:40]3)=[CH:7][CH:6]=2)[CH:13]=[C:12]([O:14][CH3:15])[C:11]=1[O:16][CH3:17]