HRID433434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID145424

3,5-Difluorophenylacetic acid

C8H6F2O2

结构：CC(C)CN1C(=O)C(NC(=O)[C@H](C)N)C(=O)N(CC(C)C)c2ccccc21.Cl

HCID23552766

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN1C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C(=O)N(CC(C)C)c2ccccc21

HCID22984081

未命名化合物

PROCEDURE

实验过程

Following General Procedure I above using 3,5-difluorophenylacetic acid (Lancaster) and 3-(L-alaninyl)amino-2,4-dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine hydrochloride (Example 8-S), the title compound was prepared as a white solid (melting point=197-198° C.). Purification was by flash chromatography eluting with CH2Cl2/EtOAc (2:1 gradient to 3:4). Rf=0.23 (CH2Cl2/EtOAc, 1:1).

WORKUP

后处理

customPurification
washeluting with CH2Cl2/EtOAc (2:1 gradient to 3:4)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-300bd09ce1d94a9ba961a89718304931
来源数据集: uspto-grants-2003_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06667305B1
来源说明: uspto-grants-2003_12

反应 SMILES

[F:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([OH:12])=O)[CH:5]=[C:6]([F:8])[CH:7]=1.Cl.[NH2:14][C@H:15]([C:17]([NH:19][CH:20]1[C:26](=[O:27])[N:25]([CH2:28][CH:29]([CH3:31])[CH3:30])[C:24]2[CH:32]=[CH:33][CH:34]=[CH:35][C:23]=2[N:22]([CH2:36][CH:37]([CH3:39])[CH3:38])[C:21]1=[O:40])=[O:18])[CH3:16]>>[F:8][C:6]1[CH:5]=[C:4]([CH2:9][C:10]([NH:14][C@H:15]([C:17]([NH:19][CH:20]2[C:21](=[O:40])[N:22]([CH2:36][CH:37]([CH3:38])[CH3:39])[C:23]3[CH:35]=[CH:34][CH:33]=[CH:32][C:24]=3[N:25]([CH2:28][CH:29]([CH3:31])[CH3:30])[C:26]2=[O:27])=[O:18])[CH3:16])=[O:12])[CH:3]=[C:2]([F:1])[CH:7]=1