HRID227972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23149693

Bicyclo[2.2.2]octane-1-carboxylic acid, 4-amino-, ethyl ester

C11H19NO2

结构：N#C[C@@H]1C[C@H](F)CN1C(=O)CN(C(=O)OCc1ccccc1)C12CCC(C(=O)On3nnc4ccccc43)(CC1)CC2

HCID57756828

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C12CCC(NC(=O)C34CCC(N(CC(=O)N5C[C@@H](F)C[C@H]5C#N)C(=O)OCc5ccccc5)(CC3)CC4)(CC1)CC2

HCID68847143

未命名化合物

收率 73.5%

PROCEDURE

实验过程

In a similar manner to Example 4, (2S,4S)-1-[[N-benzyloxycarbonyl-N-[4-(benzotriazol-1-yl)oxycarbonylbicyclo[2.2.2]oct-1-yl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile (50.0 mg) and ethyl 4-aminobicyclo[2.2.2]octane-1-carboxylate (22.3 mg) were used to obtain (2S,4S)-1-[[N-benzyloxycarbonyl-N-[4-[N-(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]carbonylbicyclo[2.2.2]oct-1-yl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile (40.7 mg).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-575f8a0018ac43d09916a55e7703a6e7
来源数据集: uspto-grants-2009_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07560569B2
来源说明: uspto-grants-2009_07

反应 SMILES

[CH2:1]([O:8][C:9]([N:11]([CH2:32][C:33]([N:35]1[CH2:39][C@@H:38]([F:40])[CH2:37][C@H:36]1[C:41]#[N:42])=[O:34])[C:12]12[CH2:19][CH2:18][C:15]([C:20](ON3C4C=CC=CC=4N=N3)=[O:21])([CH2:16][CH2:17]1)[CH2:14][CH2:13]2)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:43][C:44]12[CH2:51][CH2:50][C:47]([C:52]([O:54][CH2:55][CH3:56])=[O:53])([CH2:48][CH2:49]1)[CH2:46][CH2:45]2>>[CH2:1]([O:8][C:9]([N:11]([CH2:32][C:33]([N:35]1[CH2:39][C@@H:38]([F:40])[CH2:37][C@H:36]1[C:41]#[N:42])=[O:34])[C:12]12[CH2:19][CH2:18][C:15]([C:20]([NH:43][C:44]34[CH2:45][CH2:46][C:47]([C:52]([O:54][CH2:55][CH3:56])=[O:53])([CH2:50][CH2:51]3)[CH2:48][CH2:49]4)=[O:21])([CH2:16][CH2:17]1)[CH2:14][CH2:13]2)=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1