HRID469128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1nnc(CN(C)S(=O)(=O)c2c(C)cc(OC)cc2C)s1

HCID58392977

未命名化合物

HCID67217191

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)N(C)Cc2nnc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)s2)c(C)c1

HCID46175210

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

The title compound was prepared according to general procedure AT using methyl 5-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}methyl)-1,3,4-thiadiazole-2-carboxylate (50 mg, 0.13 mmol), 2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N-methylethanamine (110 mg, 0.54 mmol) and trimethylaluminium (2 M in toluene, 0.27 mL) in DCM (10 mL). A portion of the crude product was purified using prep method A, then prep method B.

WORKUP

后处理

customA portion of the crude product was purified

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ad6e38db5de4c079a9ea7af1ea5a6b9
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08623859B2
来源说明: uspto-grants-2014_01

反应 SMILES

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