HRID518700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID249089

4-fluorobenzoyl isothiocyanate

C8H4FNOS

结构：CC(C)NC(=O)[C@H]1CC[C@@H](Nc2cc(OCCCN3CCOCC3)ncc2N)CC1

HCID178457853

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(OCCCN4CCOCC4)cc32)CC1

HCID178457812

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from cis-4-(5-amino-2-(3-morpholinopropoxy)pyridin-4-ylamino)-N-isopropylcyclohexanecarboxamide using a procedure analogous to that used to prepare (E)-4-fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-methoxyethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)benzamide with 1.3 equivalents of 4-fluorobenzoyl isothiocyanate. Isolated as an off-white solid (98 mg, 104% yield). M/Z calc'd for C30H39FN6O4: 566.67. found 567 [M+H].

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a86cd3eb1dea4a0492d4bf58e09a9734
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:18][C@@H:19]2[CH2:24][CH2:23][C@H:22]([C:25]([NH:27][CH:28]([CH3:30])[CH3:29])=[O:26])[CH2:21][CH2:20]2)=[CH:4][C:5]([O:8][CH2:9][CH2:10][CH2:11][N:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)=[N:6][CH:7]=1.[F:31][C:32]1[CH:66]=[CH:65][C:35]([C:36](/[N:38]=[C:39]2/N([C@H]3CC[C@@H](C(=O)NC(C)C)CC3)C3C=C(OCCOC)N=CC=3N/2)=[O:37])=[CH:34][CH:33]=1.FC1C=CC(C(N=C=S)=O)=CC=1>>[F:31][C:32]1[CH:33]=[CH:34][C:35]([C:36](/[N:38]=[C:39]2/[N:18]([C@H:19]3[CH2:24][CH2:23][C@@H:22]([C:25](=[O:26])[NH:27][CH:28]([CH3:30])[CH3:29])[CH2:21][CH2:20]3)[C:3]3[CH:4]=[C:5]([O:8][CH2:9][CH2:10][CH2:11][N:12]4[CH2:13][CH2:14][O:15][CH2:16][CH2:17]4)[N:6]=[CH:7][C:2]=3[NH:1]/2)=[O:37])=[CH:65][CH:66]=1