HRID1751490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66620906

未命名化合物

结构：C=C1CC(c2ncc(-c3ccc4cc(-c5ccc(-c6cnc(C7CCCN7C(=O)C(NC(=O)OC)c7ccccc7)[nH]6)cc5)ccc4c3)[nH]2)N(C(=O)C(NC(=O)OC)C(C)C)C1

HCID69672000

未命名化合物

PRODUCTS

生成物

结构：C=C1CC(c2ncc(-c3ccc4cc(-c5ccc(-c6cnc(C7CCCN7C(=O)C(NC(=O)OC)c7ccccc7OC)[nH]6)cc5)ccc4c3)[nH]2)N(C(=O)C(NC(=O)OC)C(C)C)C1

HCID69676376

未命名化合物

收率 23%

PROCEDURE

实验过程

This compound was synthesized using the same method used to synthesize [1-(2-{5-[6-(4-{2-[1-(2-Methoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-4-methylene-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester using Methoxycarbonylamino-(2-methoxy-phenyl)-acetic acid (0.020 g, 0.082 mmol) giving {1-[2-(5-{6-[4-(2-{1-[2-Methoxycarbonylamino-2-(2-methoxy-phenyl)-acetyl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-4-methylene-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester (0.011 g, 23% yield) as a white solid. LCMS-ESI+: calc'd for C49H52N8O7: 864.40 (Me); Found: 865.35 (M+H+).

WORKUP

后处理

customThis compound was synthesized

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7738ed4709fe493e81e6044db20d983f
来源数据集: uspto-grants-2015_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09156823B2
来源说明: uspto-grants-2015_10

反应 SMILES

[CH3:1][O:2][C:3](=[O:62])[NH:4][CH:5]([C:9]([N:11]1[CH2:15][C:14](=[CH2:16])[CH2:13][CH:12]1[C:17]1[NH:18][C:19]([C:22]2[CH:31]=[CH:30][C:29]3[C:24](=[CH:25][CH:26]=[C:27]([C:32]4[CH:37]=[CH:36][C:35]([C:38]5[NH:39][C:40]([CH:43]6[CH2:47][CH2:46][CH2:45][N:44]6[C:48](=[O:61])[CH:49]([NH:56][C:57]([O:59][CH3:60])=[O:58])[C:50]6[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=6)=[N:41][CH:42]=5)=[CH:34][CH:33]=4)[CH:28]=3)[CH:23]=2)=[CH:20][N:21]=1)=[O:10])[CH:6]([CH3:8])[CH3:7].[CH3:63][O:64]C(NC(C1C=CC=CC=1OC)C(O)=O)=O>>[CH3:1][O:2][C:3](=[O:62])[NH:4][CH:5]([C:9]([N:11]1[CH2:15][C:14](=[CH2:16])[CH2:13][CH:12]1[C:17]1[NH:18][C:19]([C:22]2[CH:31]=[CH:30][C:29]3[C:24](=[CH:25][CH:26]=[C:27]([C:32]4[CH:33]=[CH:34][C:35]([C:38]5[NH:39][C:40]([CH:43]6[CH2:47][CH2:46][CH2:45][N:44]6[C:48](=[O:61])[CH:49]([NH:56][C:57]([O:59][CH3:60])=[O:58])[C:50]6[CH:51]=[CH:52][CH:53]=[CH:54][C:55]=6[O:64][CH3:63])=[N:41][CH:42]=5)=[CH:36][CH:37]=4)[CH:28]=3)[CH:23]=2)=[CH:20][N:21]=1)=[O:10])[CH:6]([CH3:7])[CH3:8]