HRID501288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID25681

1-(3-Chlorophenyl)piperazine hydrochloride

C10H14Cl2N2

HCID23112422

未命名化合物

结构：CC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2COS(C)(=O)=O)CC1

HCID178455808

未命名化合物

结构：CS(=O)(=O)OC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](C)CC1

HCID178505300

未命名化合物

PRODUCTS

生成物

结构：CC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1

HCID178455803

未命名化合物

PROCEDURE

实验过程

Follow the procedure of Example 11e, and substitute methane sulfonic acid 2-(trans-4-ethyl-cyclohexylcarbamoyl)-trans-cyclopropylmethyl ester (Example 13d) for methane sulfonic acid 2-(trans-4-methyl-cyclohexylcarbamoyl)-trans-cyclopropylmethyl ester and 4-(4-trifluoromethyl-phenyl)-piperazine hydrochloride for 1-(3-chloro-phenyl)-piperazine hydrochloride therein to obtain the title compound MS m/z=438 (M+H)+, 78.5% pure by HPLC assay.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ecf6db86a98491a827852d189b96235
来源数据集: uspto-grants-2010_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07772252B2
来源说明: uspto-grants-2010_08

反应 SMILES

[CH2:1]([C@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10]([C@@H:12]2[CH2:14][C@H:13]2[CH2:15]OS(C)(=O)=O)=[O:11])[CH2:5][CH2:4]1)[CH3:2].C[C@H]1CC[C@H](NC([C@@H]2C[C@H]2COS(C)(=O)=O)=O)CC1.Cl.[F:41][C:42]([F:56])([F:55])[C:43]1[CH:48]=[CH:47][C:46]([N:49]2[CH2:54][CH2:53][NH:52][CH2:51][CH2:50]2)=[CH:45][CH:44]=1.Cl.ClC1C=C(N2CCNCC2)C=CC=1>>[CH2:1]([C@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10]([C@@H:12]2[CH2:14][C@H:13]2[CH2:15][N:52]2[CH2:51][CH2:50][N:49]([C:46]3[CH:45]=[CH:44][C:43]([C:42]([F:55])([F:56])[F:41])=[CH:48][CH:47]=3)[CH2:54][CH2:53]2)=[O:11])[CH2:5][CH2:4]1)[CH3:2]