HRID33073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID834606

N-[(2-Chlorophenyl)methyl]cyclopropanamine

C10H12ClN

结构：CC(=O)N1CC2CC(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)=C(C(=O)O)C(C1)N2C(=O)OC(C)(C)C(Cl)(Cl)Cl

HCID67420793

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@@H](C1)N2.O=CO

HCID131727070

(rac.)-(1R,5S)-3-Acetyl-7-{4-[2-(2-chloro-5-fluorophenoxy)ethoxy]phenyl}-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid (2-chlorobenzyl)-cyclopropylamide formate salt

C35H36Cl2FN3O6

PROCEDURE

实验过程

Synthesized according to typical procedures H and E from bicyclononene BN10 and (2-chlorobenzyl)cyclopropylamine. LC-MS: Rt=0.90; ES+: 638.22.

WORKUP

后处理

customSynthesized

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fb8eae6519d403584c1ba3e615159ff
来源数据集: uspto-grants-2008_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07427613B2
来源说明: uspto-grants-2008_09

反应 SMILES

ClC(Cl)(Cl)C([O:6][C:7]([N:9]1[CH:14]2[C:15]([C:36](O)=[O:37])=[C:16]([C:18]3[CH:23]=[CH:22][C:21]([O:24][CH2:25][CH2:26][O:27][C:28]4[CH:33]=[C:32]([F:34])[CH:31]=[CH:30][C:29]=4[Cl:35])=[CH:20][CH:19]=3)[CH2:17][CH:10]1[CH2:11][N:12]([C:39](=[O:41])[CH3:40])[CH2:13]2)=[O:8])(C)C.[Cl:44][C:45]1[CH:55]=[CH:54][CH:53]=[CH:52][C:46]=1[CH2:47][NH:48][CH:49]1[CH2:51][CH2:50]1>>[CH:7]([OH:8])=[O:6].[Cl:44][C:45]1[CH:55]=[CH:54][CH:53]=[CH:52][C:46]=1[CH2:47][N:48]([CH:49]1[CH2:50][CH2:51]1)[C:36]([C:15]1[C@@H:14]2[NH:9][C@H:10]([CH2:17][C:16]=1[C:18]1[CH:23]=[CH:22][C:21]([O:24][CH2:25][CH2:26][O:27][C:28]3[CH:33]=[C:32]([F:34])[CH:31]=[CH:30][C:29]=3[Cl:35])=[CH:20][CH:19]=1)[CH2:11][N:12]([C:39](=[O:41])[CH3:40])[CH2:13]2)=[O:37]

反应方程式

反应物

N-[(2-Chlorophenyl)methyl]cyclopropanamine

未命名化合物

生成物

(rac.)-(1R*,5S*)-3-Acetyl-7-{4-[2-(2-chloro-5-fluorophenoxy)ethoxy]phenyl}-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid (2-chlorobenzyl)-cyclopropylamide formate salt

实验过程

后处理

(rac.)-(1R,5S)-3-Acetyl-7-{4-[2-(2-chloro-5-fluorophenoxy)ethoxy]phenyl}-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid (2-chlorobenzyl)-cyclopropylamide formate salt