HRID1189680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID56840192

未命名化合物

结构：CNc1c(N)cc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)c(N2CC3CC3C2)c1C

HCID178482278

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N2CC3CC3C2)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c12

HCID178429796

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

The title compound is prepared in analogy to 6c from N-(trans-4-trifluoromethyl-cyclohexyl)-2-[3-aza-bicyclo[3.1.0]hex-3-yl]-3-methyl-4-methylamino-5-amino-benzoic acid amide (80 mg, 0.195 mmol), and N-(2,4-dichloro-3-isothiocyanato-benzyl)-2,2-dimethyl-propionamide (62 mg, 0.19 mmol), DIC (36 μL) and dioxane (5.0 mL).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8851d4f0c6134b119cffa9dcdedb24b0
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:29])([F:28])[C@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10](=[O:27])[C:11]2[CH:16]=[C:15]([NH2:17])[C:14]([NH:18][CH3:19])=[C:13]([CH3:20])[C:12]=2[N:21]2[CH2:26][CH:25]3[CH:23]([CH2:24]3)[CH2:22]2)[CH2:5][CH2:4]1.[Cl:30][C:31]1[C:44]([N:45]=[C:46]=S)=[C:43]([Cl:48])[CH:42]=[CH:41][C:32]=1[CH2:33][NH:34][C:35](=[O:40])[C:36]([CH3:39])([CH3:38])[CH3:37].CC(C)N=C=NC(C)C>O1CCOCC1>[F:28][C:2]([F:1])([F:29])[C@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10]([C:11]2[C:12]([N:21]3[CH2:26][CH:25]4[CH:23]([CH2:24]4)[CH2:22]3)=[C:13]([CH3:20])[C:14]3[N:18]([CH3:19])[C:46]([NH:45][C:44]4[C:43]([Cl:48])=[CH:42][CH:41]=[C:32]([CH2:33][NH:34][C:35](=[O:40])[C:36]([CH3:39])([CH3:38])[CH3:37])[C:31]=4[Cl:30])=[N:17][C:15]=3[CH:16]=2)=[O:27])[CH2:5][CH2:4]1