HRID2234643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID3082449

1-(Trifluoroacetyl)-L-prolyl chloride

C7H7ClF3NO2

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(N)c(C(=O)N(C)C)c3)cc12

HCID57731478

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(NC(=O)C4CCCN4C(=O)C(F)(F)F)c(C(=O)N(C)C)c3)cc12

HCID86630892

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a scintillation vial was combined 32 mg (0.06 mmol) of 2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-benzamide and 15 uL (0.09 mmol) of N,N-diisopropylethylamine. To the vial was added 745 μL of a 0.1M solution of (S)-(−)-N-(trifluoroacetyl)prolylchloride in dichloromethane. The reaction was stirred at room temperature for 30 minutes, quenched with a few drops of methanol, and concentrated down. MS: m/z 752.1 (M+H+).

WORKUP

后处理

customquenched with a few drops of methanol
concentrationconcentrated down

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-915d43fe1b034e1ab93b29ec3ae69851
来源数据集: uspto-grants-2010_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07709645B2
来源说明: uspto-grants-2010_05

反应 SMILES

[NH2:1][C:2]1[C:12]([F:13])=[CH:11][C:10]([C:14]2[CH:15]=[C:16]3[C:22]([C:23]4[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=4[O:29][CH3:30])=[CH:21][N:20]([S:31]([C:34]4[CH:39]=[CH:38][C:37]([CH3:40])=[CH:36][CH:35]=4)(=[O:33])=[O:32])[C:17]3=[N:18][CH:19]=2)=[CH:9][C:3]=1[C:4]([N:6]([CH3:8])[CH3:7])=[O:5].C(N(CC)C(C)C)(C)C.[F:50][C:51]([F:63])([F:62])[C:52]([N:54]1[CH2:61][CH2:60][CH2:59][C@H:55]1[C:56](Cl)=[O:57])=[O:53]>ClCCl>[CH3:7][N:6]([CH3:8])[C:4]([C:3]1[CH:9]=[C:10]([C:14]2[CH:15]=[C:16]3[C:22]([C:23]4[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=4[O:29][CH3:30])=[CH:21][N:20]([S:31]([C:34]4[CH:35]=[CH:36][C:37]([CH3:40])=[CH:38][CH:39]=4)(=[O:32])=[O:33])[C:17]3=[N:18][CH:19]=2)[CH:11]=[C:12]([F:13])[C:2]=1[NH:1][C:56]([CH:55]1[CH2:59][CH2:60][CH2:61][N:54]1[C:52](=[O:53])[C:51]([F:63])([F:50])[F:62])=[O:57])=[O:5]