HRID345701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2723790

Thiourea

CH4N2S

反应SMILES：Cn1cc(C2=C(c3cn(CCCOS(C)(=O)=O)c4ccccc34)C(=O)NC2=O)c2ccccc21

HCID15163051

未命名化合物

PRODUCTS

产物

反应SMILES：CS(=O)(=O)O.Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21

HCID11628205

Ro 31-8220 mesylate

C26H27N5O5S2

收率 78.8%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

1.455 g of the product of Example 58 in 45 ml of ethanol were treated with 364 mg of thiourea and the mixture was heated at reflux for 18 hours. After cooling the precipitate was filtered off and washed with ethanol and with diethyl ether. The solid was dried to give 1.33 g of 3-[1-[3-(amidinothio)propyl]-3-indolyl]-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione methanesulphonate, m.p. 236°-238° C. (decomposition).

WORKUP

后处理

temperaturethe mixture was heated
temperatureat reflux for 18 hours
temperatureAfter cooling the precipitate
filtrationwas filtered off
washwashed with ethanol and with diethyl ether
customThe solid was dried

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6e0b4cb54f0c41f9b2999bbdcdc5c8b3
来源数据集: uspto-grants-1991_10
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US05057614
来源说明: uspto-grants-1991_10

反应SMILES

[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4]([C:11]2[C:12](=[O:34])[NH:13][C:14](=[O:33])[C:15]=2[C:16]2[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[N:18]([CH2:25][CH2:26][CH2:27][O:28][S:29]([CH3:32])(=[O:31])=[O:30])[CH:17]=2)=[CH:3]1.[NH2:35][C:36]([NH2:38])=[S:37]>C(O)C>[CH3:32][S:29]([OH:31])(=[O:30])=[O:28].[C:36]([S:37][CH2:27][CH2:26][CH2:25][N:18]1[C:19]2[C:24](=[CH:23][CH:22]=[CH:21][CH:20]=2)[C:16]([C:15]2[C:14](=[O:33])[NH:13][C:12](=[O:34])[C:11]=2[C:4]2[C:5]3[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=3)[N:2]([CH3:1])[CH:3]=2)=[CH:17]1)(=[NH:38])[NH2:35]