HRID62465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(CNc2ncnc3c2c(-c2ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc2)nn3[C@@H]2CCCc3c2cnn3S(=O)(=O)c2ccc(C)cc2)c(OC)c1

HCID90304124

未命名化合物

PRODUCTS

生成物

结构：Nc1ncnc2c1c(-c1ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc1)nn2[C@@H]1CCCc2[nH]ncc21

HCID76901600

未命名化合物

收率 53%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6422

未命名化合物

PROCEDURE

实验过程

A solution of (R)-4-(4-((2,4-dimethoxybenzyl)amino)-1-(1-tosyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide (90 mg, 0.109 mmol) in TFA (3 mL) was stirred for 3 h at 100° C. Removed the solvent and purified by preparative HPLC to give the title compound (30 mg, yield 52.8%).

WORKUP

后处理

customRemoved the solvent
custompurified by preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b8d06eb916a48c3ba85c5492f81550c
来源数据集: uspto-grants-2016_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09446130B2
来源说明: uspto-grants-2016_09

反应 SMILES

COC1C=C(OC)C=CC=1C[NH:6][C:7]1[N:12]=[CH:11][N:10]=[C:9]2[N:13]([C@@H:35]3[CH2:43][CH2:42][CH2:41][C:40]4[N:39](S(C5C=CC(C)=CC=5)(=O)=O)[N:38]=[CH:37][C:36]3=4)[N:14]=[C:15]([C:16]3[CH:34]=[CH:33][C:19]([C:20]([NH:22][C:23]4[CH:28]=[C:27]([C:29]([F:32])([F:31])[F:30])[CH:26]=[CH:25][N:24]=4)=[O:21])=[CH:18][CH:17]=3)[C:8]=12>C(O)(C(F)(F)F)=O>[NH2:6][C:7]1[N:12]=[CH:11][N:10]=[C:9]2[N:13]([C@@H:35]3[CH2:43][CH2:42][CH2:41][C:40]4[NH:39][N:38]=[CH:37][C:36]3=4)[N:14]=[C:15]([C:16]3[CH:17]=[CH:18][C:19]([C:20]([NH:22][C:23]4[CH:28]=[C:27]([C:29]([F:32])([F:31])[F:30])[CH:26]=[CH:25][N:24]=4)=[O:21])=[CH:33][CH:34]=3)[C:8]=12