HRID1366707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN1CCN(N(Cc2nccs2)c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(C=O)OC3CCCCO3)c2F)CC1

HCID86637033

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(N(Cc2nccs2)c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2F)CC1

HCID58000697

未命名化合物

收率 32.8%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

[(2R)-3-(2-{2-Chloro-5-fluoro-6-[(4-methyl-1-piperazinyl)(1,3-thiazol-2-ylmethyl)amino]-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl](tetrahydro-2H-pyran-2-yloxy)formamide (0.1688 g, 0.258 mmol) was taken up in water (2 mL) and acetic acid (8 mL). The reaction was left to stir overnight. Purification by RP-HPLC provided [(2R)-3-(2-{2-chloro-5-fluoro-6-[(4-methyl-1-piperazinyl)(1,3-thiazol-2-ylmethyl)amino]-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl]hydroxyformamide as a beige solid (0.0483 g, 25%). LCMS: (M+H)+=571.2.

WORKUP

后处理

waitThe reaction was left
customPurification by RP-HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1ab531ea162497b8afa4eb2c334943d
来源数据集: uspto-grants-2011_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07893056B2
来源说明: uspto-grants-2011_02

反应 SMILES

[Cl:1][C:2]1[N:7]=[C:6]([NH:8][NH:9][C:10](=[O:29])[C@H:11]([CH2:23][CH:24]2[CH2:28][CH2:27][CH2:26][CH2:25]2)[CH2:12][N:13]([O:16]C2CCCCO2)[CH:14]=[O:15])[C:5]([F:30])=[C:4]([N:31]([N:38]2[CH2:43][CH2:42][N:41]([CH3:44])[CH2:40][CH2:39]2)[CH2:32][C:33]2[S:34][CH:35]=[CH:36][N:37]=2)[N:3]=1>O.C(O)(=O)C>[Cl:1][C:2]1[N:7]=[C:6]([NH:8][NH:9][C:10](=[O:29])[C@H:11]([CH2:23][CH:24]2[CH2:28][CH2:27][CH2:26][CH2:25]2)[CH2:12][N:13]([OH:16])[CH:14]=[O:15])[C:5]([F:30])=[C:4]([N:31]([N:38]2[CH2:43][CH2:42][N:41]([CH3:44])[CH2:40][CH2:39]2)[CH2:32][C:33]2[S:34][CH:35]=[CH:36][N:37]=2)[N:3]=1