HRID1189701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12734

Diisopropylcarbodiimide

C7H14N2

结构：CC(C)(C)OC(=O)NCc1ccc(Cl)c(N=C=S)c1Cl

HCID56840196

未命名化合物

2 次

结构：CNc1ccc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)c(C23CNCC2C3)c1N

HCID178482174

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2c(Cl)ccc(CNC(=O)OC(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H]3CC[C@H](C(F)(F)F)CC3)c(C34CNCC3C4)cc21

HCID178481222

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

PROCEDURE

实验过程

The title compound is prepared in analogy to 1e from N-(trans-4-trifluoromethyl-cyclohexyl)-6-[3-aza-bicyclo[3.1.0]hex-1-yl]-4-methylamino-5-amino-benzoic acid amide (3.2 g, 8.0 mmol), (2,4-dichloro-3-isothiocyanato-benzyl)-carbamic acid tert.-butyl ester (compound B; 2.69 g, 8.0 mmol), DIC (1.25 mL) and MeCN (30 mL).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d853061a37cc44a38de48e234d874228
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[C:16]([C:17]34[CH2:22][CH:21]3[CH2:20][NH:19][CH2:18]4)=[C:15](N)[C:14]([NH:24][CH3:25])=[CH:13][CH:12]=2)[CH2:5][CH2:4]1.[C:29]([O:33][C:34](=[O:48])[NH:35][CH2:36][C:37]1[CH:42]=[CH:41][C:40]([Cl:43])=[C:39]([N:44]=[C:45]=S)[C:38]=1[Cl:47])([CH3:32])([CH3:31])[CH3:30].CC(C)[N:51]=C=NC(C)C>CC#N>[F:1][C:2]([F:28])([F:27])[C@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10]([C:11]2[C:16]([C:17]34[CH2:22][CH:21]3[CH2:20][NH:19][CH2:18]4)=[CH:15][C:14]3[N:24]([CH3:25])[C:45]([NH:44][C:39]4[C:40]([Cl:43])=[CH:41][CH:42]=[C:37]([CH2:36][NH:35][C:34]([O:33][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:48])[C:38]=4[Cl:47])=[N:51][C:13]=3[CH:12]=2)=[O:26])[CH2:5][CH2:4]1