HRID2104243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

反应SMILES：C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

HCID5488810

Peptide oostatic hormone

C51H70N10O14

反应SMILES：Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC(C(=N)NO)(c2ccc(Cl)cc2)CC1

HCID178427939

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC(C(N)=O)(c2ccc(Cl)cc2)CC1

HCID57805577

未命名化合物

PROCEDURE

实验过程

To the crude material from Example 21 was added 5 mg of CSA and 1 mL of TMOF. The mixture was heated to 100C overnight and the crude product was purified by reversed phase HPLC (acetonitrile—H2O with 0.1% TFA as the eluent) to yield 1-[2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-4-(4-chloro-phenyl)-piperidine-4-carboxylic acid amide. MS (ES) M+H expected=463.0, found=463.1

WORKUP

后处理

customthe crude product was purified by reversed phase HPLC (acetonitrile—H2O with 0.1% TFA as the eluent)

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4ca8d7a75320465a8a56ae549d25e55c
来源数据集: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US07576218B2
来源说明: uspto-grants-2009_08

反应SMILES

[Cl:1][C:2]1[C:3]([C:28]([F:31])([F:30])[F:29])=[N:4][N:5]([CH2:8][C:9]([N:11]2[CH2:16][CH2:15][C:14]([C:21]3[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=3)([C:17](NO)=[NH:18])[CH2:13][CH2:12]2)=[O:10])[C:6]=1[CH3:7].CC1(C)C2(CS(O)(=O)=O)C(CC1CC2)=[O:39].C[C@H](NC([C@H]1N(C([C@@H](NC([C@@H](N)CC2C=CC(O)=CC=2)=O)CC(O)=O)=O)CCC1)=O)C(N1[C@H](C(N2[C@H](C(N3[C@H](C(N4[C@H](C(N5[C@H](C(N6[C@H](C(O)=O)CCC6)=O)CCC5)=O)CCC4)=O)CCC3)=O)CCC2)=O)CCC1)=O>>[Cl:1][C:2]1[C:3]([C:28]([F:31])([F:30])[F:29])=[N:4][N:5]([CH2:8][C:9]([N:11]2[CH2:16][CH2:15][C:14]([C:21]3[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=3)([C:17]([NH2:18])=[O:39])[CH2:13][CH2:12]2)=[O:10])[C:6]=1[CH3:7]