HRID1751408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=C1CC(c2ncc(-c3ccc(-c4ccc5cc(-c6cnc(C7CCCN7C(=O)C(NC(=O)OC)C(C)C)[nH]6)ccc5c4)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1

HCID69672771

未命名化合物

结构：C=C1CC(c2ncc(-c3ccc(-c4ccc5cc(-c6cnc(C7CCCN7C(=O)C(NC(=O)OC)C7CCOCC7)[nH]6)ccc5c4)cc3)[nH]2)N(C(=O)C(NC(=O)OC)c2cccnc2)C1

HCID69675245

未命名化合物

PRODUCTS

生成物

结构：C=C1CC(c2ncc(-c3ccc(-c4ccc5cc(-c6cnc(C7CCCN7C(=O)C(NC(=O)OC)C(C)C)[nH]6)ccc5c4)cc3)[nH]2)N(C(=O)C(NC(=O)OC)c2cccnc2)C1

HCID69675536

未命名化合物

PROCEDURE

实验过程

Prepared as {2-[2-(5-{4-[6-(2-{1-[2-Methoxycarbonylamino-2-(tetrahydro-pyran-4-yl)-acetyl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-naphthalen-2-yl]-phenyl}-1H-imidazol-2-yl)-4-methylene-pyrrolidin-1-yl]-2-oxo-1-pyridin-3-yl-ethyl}-carbamic acid methyl ester (Example CL) from 2-{5-[4-(6-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-naphthalen-2-yl)-phenyl]-1H-imidazol-2-yl}-4-methylene-pyrrolidine-1-carboxylic acid tert-butyl ester. LCMS-ESI+: calc'd for C47H49N9O6: 835.9 (M+) found: 836.4 (M+H+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c40989e17172462194577c87d250ee3c
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:65])[NH:4][CH:5]([C:59]1[CH:60]=[N:61][CH:62]=[CH:63][CH:64]=1)[C:6]([N:8]1[CH2:12][C:11](=[CH2:13])[CH2:10][CH:9]1[C:14]1[NH:15][C:16]([C:19]2[CH:24]=[CH:23][C:22]([C:25]3[CH:34]=[CH:33][C:32]4[C:27](=[CH:28][CH:29]=[C:30]([C:35]5[NH:36][C:37]([CH:40]6[CH2:44][CH2:43][CH2:42][N:41]6[C:45](=[O:58])[CH:46]([NH:53][C:54]([O:56][CH3:57])=[O:55])[CH:47]6[CH2:52]COC[CH2:48]6)=[N:38][CH:39]=5)[CH:31]=4)[CH:26]=3)=[CH:21][CH:20]=2)=[CH:17][N:18]=1)=[O:7].C(OC(N1CC(=C)CC1C1NC(C2C=CC(C3C=CC4C(=CC=C(C5NC(C6CCCN6C(=O)C(NC(OC)=O)C(C)C)=NC=5)C=4)C=3)=CC=2)=CN=1)=O)(C)(C)C>>[CH3:57][O:56][C:54](=[O:55])[NH:53][CH:46]([C:45]([N:41]1[CH2:42][CH2:43][CH2:44][CH:40]1[C:37]1[NH:36][C:35]([C:30]2[CH:29]=[CH:28][C:27]3[C:32](=[CH:33][CH:34]=[C:25]([C:22]4[CH:21]=[CH:20][C:19]([C:16]5[NH:15][C:14]([CH:9]6[CH2:10][C:11](=[CH2:13])[CH2:12][N:8]6[C:6](=[O:7])[CH:5]([NH:4][C:3]([O:2][CH3:1])=[O:65])[C:59]6[CH:60]=[N:61][CH:62]=[CH:63][CH:64]=6)=[N:18][CH:17]=5)=[CH:24][CH:23]=4)[CH:26]=3)[CH:31]=2)=[CH:39][N:38]=1)=[O:58])[CH:47]([CH3:48])[CH3:52]