HRID2042840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

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

HCID56840196

未命名化合物

结构：Nc1cc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)c(OCC(F)F)nc1N

HCID178507778

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@H]4CC[C@H](C(F)(F)F)CC4)c(OCC(F)F)nc3[nH]2)c1Cl

HCID178453058

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 from (2,4-dichloro-3-isothiocyanato-benzyl)-carbamic acid tert-butyl ester (3.15 g, 9.45 mmol), 5,6-diamino-2-(2,2-difluoro-ethoxy)-N-(trans-4-trifluoromethyl-cyclohexyl)-nicotinamide (3.60 g, 9.42 mmol), EDC (2.0 g, 10.4 mmol) in MeCN (40 ml) in analogy to example 5c.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-850bf7b459ef4fc2bfbfc633e0795ee7
来源数据集: uspto-grants-2013_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08586604B2
来源说明: uspto-grants-2013_11

反应 SMILES

[C:1]([O:5][C:6](=[O:20])[NH:7][CH2:8][C:9]1[CH:14]=[CH:13][C:12]([Cl:15])=[C:11]([N:16]=[C:17]=S)[C:10]=1[Cl:19])([CH3:4])([CH3:3])[CH3:2].[NH2:21][C:22]1[C:23]([NH2:46])=[N:24][C:25]([O:41][CH2:42][CH:43]([F:45])[F:44])=[C:26]([CH:40]=1)[C:27]([NH:29][C@H:30]1[CH2:35][CH2:34][C@H:33]([C:36]([F:39])([F:38])[F:37])[CH2:32][CH2:31]1)=[O:28].C(Cl)CCl>CC#N>[C:1]([O:5][C:6](=[O:20])[NH:7][CH2:8][C:9]1[CH:14]=[CH:13][C:12]([Cl:15])=[C:11]([NH:16][C:17]2[NH:46][C:23]3=[N:24][C:25]([O:41][CH2:42][CH:43]([F:45])[F:44])=[C:26]([C:27](=[O:28])[NH:29][C@H:30]4[CH2:31][CH2:32][C@H:33]([C:36]([F:38])([F:37])[F:39])[CH2:34][CH2:35]4)[CH:40]=[C:22]3[N:21]=2)[C:10]=1[Cl:19])([CH3:4])([CH3:3])[CH3:2]