HRID1913272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22392675

未命名化合物

$反应SMILES：CCO/C=C\c1c(C2=CCC(C)(C(=O)OCC)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C$

HCID68111075

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C1(C)CC=C(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ccc23)CC1

HCID136332421

未命名化合物

PROCEDURE

实验过程

(Z)-Ethyl 4-(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-6-(2-ethoxyvinyl)-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)-1-methylcyclohex-3-enecarboxylate (crude Int-18h) was treated with a mixture of 50% TFA/H2O at rt overnight. The reaction mixture was evaporated to dryness and purified by Prep-LC to give ethyl 1-methyl-4-(3-(6-phenylpyridin-3-yl)-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-yl)cyclohex-3-enecarboxylate (Int-18i). HPLC-MS tR=1.86 min (UV254nm); mass calculated for formula C29H27N5O2 477.2, observed LCMS m/z 478.3 (M+H).

WORKUP

后处理

customThe reaction mixture was evaporated to dryness
custompurified by Prep-LC

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d5fecc8b95284f3b9113ae2eff300312
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08609675B2
来源说明: uspto-grants-2013_12

反应SMILES

C[Si](C)(C)CCOC[N:7](COCC[Si](C)(C)C)[C:8]1[N:13]2[N:14]=[CH:15][C:16]([C:17]3[CH:18]=[N:19][C:20]([C:23]4[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=4)=[CH:21][CH:22]=3)=[C:12]2[N:11]=[C:10]([C:29]2[CH2:34][CH2:33][C:32]([CH3:40])([C:35]([O:37][CH2:38][CH3:39])=[O:36])[CH2:31][CH:30]=2)[C:9]=1/[CH:41]=[CH:42]\OCC.C(O)(C(F)(F)F)=O.O>>[CH3:40][C:32]1([C:35]([O:37][CH2:38][CH3:39])=[O:36])[CH2:33][CH2:34][C:29]([C:10]2[C:9]3[CH:41]=[CH:42][NH:7][C:8]=3[N:13]3[N:14]=[CH:15][C:16]([C:17]4[CH:18]=[N:19][C:20]([C:23]5[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=5)=[CH:21][CH:22]=4)=[C:12]3[N:11]=2)=[CH:30][CH2:31]1