HRID518736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21904757

tert-Butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

C11H20N2O2

$结构：CC(C)(O)C1CCN(Cc2ccc3[nH]/c(=N\C(=O)c4ccc(F)cc4)n([C@H]4CC[C@@H](C(=O)O)CC4)c3c2)CC1$

HCID178458676

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CCC(C1)N2C(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1

HCID178451468

未命名化合物

$结构：CC(C)(O)C1CCN(Cc2ccc3[nH]/c(=N\C(=O)c4ccc(F)cc4)n([C@H]4CC[C@@H](C(=O)N5CCNCC5)CC4)c3c2)CC1$

HCID178458675

未命名化合物

收率 51%

PROCEDURE

实验过程

The title compound was prepared from cis-4-((E)-2-(4-fluorobenzoylimino)-6-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)cyclohexanecarboxylic acid and tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate using a method analogous to that used in the preparation of (E)-4-fluoro-N-(6-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-1-(cis-4-(piperazine-1-carbonyl)cyclohexyl)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide (70 mg, 51% yield). MS, m/z (C41H55FN6O5): calcd, 730.4. found, 731.1 [M+H].

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2eb250fe1c574243acb80a21687c9035
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09115127B2
来源说明: uspto-grants-2015_08

反应 SMILES

[F:1][C:2]1[CH:39]=[CH:38][C:5]([C:6](/[N:8]=[C:9]2\[NH:10][C:11]3[CH:26]=[CH:25][C:24]([CH2:27][N:28]4[CH2:33][CH2:32][CH:31]([C:34]([OH:37])([CH3:36])[CH3:35])[CH2:30][CH2:29]4)=[CH:23][C:12]=3[N:13]\2[C@@H:14]2[CH2:19][CH2:18][C@H:17]([C:20]([OH:22])=[O:21])[CH2:16][CH2:15]2)=[O:7])=[CH:4][CH:3]=1.[CH:40]12[NH:47][CH:44]([CH2:45][CH2:46]1)[CH2:43][N:42]([C:48]([O:50][C:51]([CH3:54])([CH3:53])[CH3:52])=[O:49])[CH2:41]2>>[F:1][C:2]1[CH:39]=[CH:38][C:5]([C:6](/[N:8]=[C:9]2\[NH:10][C:11]3[CH:26]=[CH:25][C:24]([CH2:27][N:28]4[CH2:33][CH2:32][CH:31]([C:34]([OH:37])([CH3:35])[CH3:36])[CH2:30][CH2:29]4)=[CH:23][C:12]=3[N:13]\2[C@@H:14]2[CH2:19][CH2:18][C@H:17]([C:20]([N:47]3[CH:40]4[CH2:46][CH2:45][CH:44]3[CH2:43][N:42]([C:48]([O:50][C:51]([CH3:54])([CH3:53])[CH3:52])=[O:49])[CH2:41]4)=[O:21])[CH2:16][CH2:15]2)=[O:7])=[CH:4][CH:3]=1.[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:6](/[N:8]=[C:9]2\[NH:10][C:11]3[CH:26]=[CH:25][C:24]([CH2:27][N:28]4[CH2:29][CH2:30][CH:31]([C:34]([OH:37])([CH3:35])[CH3:36])[CH2:32][CH2:33]4)=[CH:23][C:12]=3[N:13]\2[C@H:14]2[CH2:19][CH2:18][C@@H:17]([C:20]([N:42]3[CH2:43][CH2:44][NH:47][CH2:40][CH2:41]3)=[O:22])[CH2:16][CH2:15]2)=[O:7])=[CH:38][CH:39]=1