HRID1253901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F

HCID7146288

(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid

C15H18F3NO4

结构：CC(C)(C)OC(=O)N1Cc2ccccc2-n2nnc(-c3ccc(F)cc3)c2C1

HCID68780314

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CC(=O)N1Cc2ccccc2-n2nnc(-c3ccc(F)cc3)c2C1)Cc1cc(F)c(F)cc1F

HCID68782199

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID11

1,2-Dichloroethane

C2H4Cl2

PROCEDURE

实验过程

3-(4-Fluoro-phenyl)-4H,6H-1,2,5,10b-tetraaza-benzo[e]azulene-5-carboxylic acid tert-butyl ester was deprotected using trifluoroacetic acid and the resulting salt was coupled with (R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid using HOBT, EDC and DIPEA. The desired compound was obtained as a viscous oil.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b7616d1ef024a4bab6caac8f2158360
来源数据集: uspto-grants-2013_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08455479B2
来源说明: uspto-grants-2013_06

反应 SMILES

C(O[C:6]([N:8]1[CH2:17][C:16]2[N:12]([N:13]=[N:14][C:15]=2[C:18]2[CH:23]=[CH:22][C:21]([F:24])=[CH:20][CH:19]=2)[C:11]2[CH:25]=[CH:26][CH:27]=[CH:28][C:10]=2[CH2:9]1)=[O:7])(C)(C)C.FC(F)(F)C(O)=O.[C:36]([O:40][C:41]([NH:43][C@H:44]([CH2:49][C:50]1[CH:55]=[C:54]([F:56])[C:53]([F:57])=[CH:52][C:51]=1[F:58])[CH2:45]C(O)=O)=[O:42])([CH3:39])([CH3:38])[CH3:37].C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>C(Cl)CCl>[C:36]([O:40][C:41](=[O:42])[NH:43][CH:44]([CH2:49][C:50]1[CH:55]=[C:54]([F:56])[C:53]([F:57])=[CH:52][C:51]=1[F:58])[CH2:45][C:6]([N:8]1[CH2:17][C:16]2[N:12]([N:13]=[N:14][C:15]=2[C:18]2[CH:19]=[CH:20][C:21]([F:24])=[CH:22][CH:23]=2)[C:11]2[CH:25]=[CH:26][CH:27]=[CH:28][C:10]=2[CH2:9]1)=[O:7])([CH3:37])([CH3:38])[CH3:39]