HRID71881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID276

Carbamic acid, ion(1-)

CH2NO2-

2 次

HCID5950

L-Alanine

C3H7NO2

HCID6287

L-Valine

C5H11NO2

结构：COC(=O)NC(C(=O)N1CCN(C(=O)OC)CC1c1nc(-c2ccc(C#Cc3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)c[nH]1)C(C)C

HCID178502197

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C)C(=O)N1CCN(C(=O)OC)CC1c1nc(-c2ccc(C#Cc3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)c[nH]1

HCID178502110

未命名化合物

PROCEDURE

实验过程

was prepared in a similar fashion to 4-(2-Methoxycarbonylamino-3-methyl-butyryl)-3-{4-[4-(4-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenylethynyl)-phenyl]-1H-imidazol-2-yl}-piperazine-1-carboxylic acid methyl ester (example DP), replacing the valine derived carbamate with the corresponding alanine derived carbamate.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc1f0527e3dc4aac9d5a9c11bf8032db
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08822430B2
来源说明: uspto-grants-2014_09

反应 SMILES

[CH3:1][O:2][C:3]([N:5]1[CH2:10][CH2:9][N:8]([C:11](=[O:21])[CH:12]([NH:16][C:17]([O:19][CH3:20])=[O:18])[CH:13](C)C)[CH:7]([C:22]2[NH:23][CH:24]=[C:25]([C:27]3[CH:32]=[CH:31][C:30]([C:33]#[C:34][C:35]4[CH:40]=[CH:39][C:38]([C:41]5[NH:42][C:43]([CH:46]6[CH2:50][CH2:49][CH2:48][N:47]6[C:51](=[O:61])[CH:52]([NH:56][C:57]([O:59][CH3:60])=[O:58])[CH:53]([CH3:55])[CH3:54])=[N:44][CH:45]=5)=[CH:37][CH:36]=4)=[CH:29][CH:28]=3)[N:26]=2)[CH2:6]1)=[O:4].N[C@H](C(O)=O)C(C)C.C(=O)([O-])N.N[C@H](C(O)=O)C>>[CH3:1][O:2][C:3]([N:5]1[CH2:10][CH2:9][N:8]([C:11](=[O:21])[CH:12]([NH:16][C:17]([O:19][CH3:20])=[O:18])[CH3:13])[CH:7]([C:22]2[NH:23][CH:24]=[C:25]([C:27]3[CH:28]=[CH:29][C:30]([C:33]#[C:34][C:35]4[CH:40]=[CH:39][C:38]([C:41]5[NH:42][C:43]([CH:46]6[CH2:50][CH2:49][CH2:48][N:47]6[C:51](=[O:61])[CH:52]([NH:56][C:57]([O:59][CH3:60])=[O:58])[CH:53]([CH3:55])[CH3:54])=[N:44][CH:45]=5)=[CH:37][CH:36]=4)=[CH:31][CH:32]=3)[N:26]=2)[CH2:6]1)=[O:4]

反应方程式

反应物

Carbamic acid, ion(1-)

L-​Alanine

L-Valine

未命名化合物

生成物

未命名化合物

实验过程

L-Alanine