HRID1189690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

HCID2095694

3-tert-Butylisoxazol-5-amine

C7H12N2O

结构：Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)O)c(N3CCC(C(F)(F)F)CC3)cc21

HCID67957557

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(C(C)(C)C)no3)c(N3CCC(C(F)(F)F)CC3)cc21

HCID67957442

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

The title compound is prepared in analogy to 1b from 2-{2,6-dichloro-3-[(2,2-dimethyl-propionylamino)-methyl]-phenylamino}-6-[4-trifluoromethyl-piperidinyl]-1-methyl-1H-benzimidazole-5-carboxylic acid (100 mg, 0.16 mmol), 5-amino-3-tert.-butyl-isoxazole (23 mg, 0.16 mmol), (1-chloro-2-methyl-propenyl)-dimethylamine (0.026 mL, 0.20 mmol) TEA (0.114 mL, 0.81 mmol) and THF.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d8e4acb47fe4d89adec24b21a05b32b
来源数据集: uspto-grants-2014_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08674113B2
来源说明: uspto-grants-2014_03

反应 SMILES

[Cl:1][C:2]1[C:7]([CH2:8][NH:9][C:10](=[O:15])[C:11]([CH3:14])([CH3:13])[CH3:12])=[CH:6][CH:5]=[C:4]([Cl:16])[C:3]=1[NH:17][C:18]1[N:22]([CH3:23])[C:21]2[CH:24]=[C:25]([N:31]3[CH2:36][CH2:35][CH:34]([C:37]([F:40])([F:39])[F:38])[CH2:33][CH2:32]3)[C:26]([C:28](O)=[O:29])=[CH:27][C:20]=2[N:19]=1.[NH2:41][C:42]1[O:46][N:45]=[C:44]([C:47]([CH3:50])([CH3:49])[CH3:48])[CH:43]=1.ClC(N(C)C)=C(C)C>C1COCC1>[C:47]([C:44]1[CH:43]=[C:42]([NH:41][C:28]([C:26]2[C:25]([N:31]3[CH2:36][CH2:35][CH:34]([C:37]([F:39])([F:38])[F:40])[CH2:33][CH2:32]3)=[CH:24][C:21]3[N:22]([CH3:23])[C:18]([NH:17][C:3]4[C:4]([Cl:16])=[CH:5][CH:6]=[C:7]([CH2:8][NH:9][C:10](=[O:15])[C:11]([CH3:14])([CH3:12])[CH3:13])[C:2]=4[Cl:1])=[N:19][C:20]=3[CH:27]=2)=[O:29])[O:46][N:45]=1)([CH3:50])([CH3:49])[CH3:48]