HRID1189639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID56840193

未命名化合物

结构：Nc1cc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)c(N2CCC(F)CC2)cc1N

HCID178507776

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)NCc1ccc(F)c(Nc2nc3cc(C(=O)N[C@H]4CC[C@H](C(F)(F)F)CC4)c(N4CCC(F)CC4)cc3[nH]2)c1F

HCID178447331

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

The title compound is prepared in analogy to 2c from N-(trans-4-trifluoromethyl-cyclohexyl)-2-(4-fluoro-piperidinyl)-4,5-diamino-benzoic acid amide (50 mg, 0.12 mmol), and N-(2,4-difluoro-3-isothiocyanato-benzyl)-2,2-dimethyl-propionamide (70 mg, 0.24 mmol), DIC (30 μL) and DMF (2.0 mL).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b55b63bdb6744dfa39ccd114214e583
来源数据集: uspto-grants-2014_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08674113B2
来源说明: uspto-grants-2014_03

反应 SMILES

[F:1][C:2]([F:28])([F:27])[C@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10](=[O:26])[C:11]2[CH:16]=[C:15]([NH2:17])[C:14]([NH2:18])=[CH:13][C:12]=2[N:19]2[CH2:24][CH2:23][CH:22]([F:25])[CH2:21][CH2:20]2)[CH2:5][CH2:4]1.[F:29][C:30]1[C:43]([N:44]=[C:45]=S)=[C:42]([F:47])[CH:41]=[CH:40][C:31]=1[CH2:32][NH:33][C:34](=[O:39])[C:35]([CH3:38])([CH3:37])[CH3:36].CC(C)N=C=NC(C)C>CN(C=O)C>[F:28][C:2]([F:27])([F:1])[C@H:3]1[CH2:4][CH2:5][C@H:6]([NH:9][C:10]([C:11]2[C:12]([N:19]3[CH2:24][CH2:23][CH:22]([F:25])[CH2:21][CH2:20]3)=[CH:13][C:14]3[NH:18][C:45]([NH:44][C:43]4[C:42]([F:47])=[CH:41][CH:40]=[C:31]([CH2:32][NH:33][C:34](=[O:39])[C:35]([CH3:36])([CH3:37])[CH3:38])[C:30]=4[F:29])=[N:17][C:15]=3[CH:16]=2)=[O:26])[CH2:7][CH2:8]1