HRID518704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)NC(=O)[C@H]1CC[C@@H](Nc2cc(OC3CCN(CC(=O)OC(C)(C)C)CC3)ncc2N)CC1

HCID178457852

未命名化合物

$结构：COCCOc1cc2c(cn1)[nH]/c(=N\C(=O)c1ccc(F)cc1)n2[C@H]1CC[C@@H](C(=O)NC(C)C)CC1$

HCID178496069

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3cnc(OC4CCN(CC(=O)OC(C)(C)C)CC4)cc32)CC1

HCID178457810

未命名化合物

收率 79%

PROCEDURE

实验过程

The title compound was prepared from tert-butyl 2-(4-(5-amino-4-(cis-4-(isopropylcarbamoyl)cyclohexylamino)pyridin-2-yloxy)piperidin-1-yl)acetate using a procedure analogous to that used for (E)-4-fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-methoxyethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)benzamide. Isolated as an off-white solid (124 mg, 79% yield, last step). M/Z calc'd for C34H45FN6O5: 636.76. found 637 [M+H].

WORKUP

后处理

customIsolated as an off-white solid (124 mg, 79% yield, last step)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02723b2d9ab34710a7f2aee231285b0f
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

[NH2:1][C:2]1[C:3]([NH:23][C@H:24]2[CH2:29][CH2:28][C@@H:27]([C:30](=[O:35])[NH:31][CH:32]([CH3:34])[CH3:33])[CH2:26][CH2:25]2)=[CH:4][C:5]([O:8][CH:9]2[CH2:14][CH2:13][N:12]([CH2:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:11][CH2:10]2)=[N:6][CH:7]=1.[F:36][C:37]1[CH:71]=[CH:70][C:40]([C:41](/[N:43]=[C:44]2/N([C@H]3CC[C@@H](C(=O)NC(C)C)CC3)C3C=C(OCCOC)N=CC=3N/2)=[O:42])=[CH:39][CH:38]=1>>[F:36][C:37]1[CH:38]=[CH:39][C:40]([C:41](/[N:43]=[C:44]2/[N:23]([C@H:24]3[CH2:25][CH2:26][C@@H:27]([C:30](=[O:35])[NH:31][CH:32]([CH3:33])[CH3:34])[CH2:28][CH2:29]3)[C:3]3[CH:4]=[C:5]([O:8][CH:9]4[CH2:14][CH2:13][N:12]([CH2:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:11][CH2:10]4)[N:6]=[CH:7][C:2]=3[NH:1]/2)=[O:42])=[CH:70][CH:71]=1