HRID1636329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11770

Pentafluorobenzoic acid

C7HF5O2

结构：CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)O.O=C(CBr)CBr

HCID88025812

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC(=O)c1c(F)c(F)c(F)c(F)c1F.CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)O

HCID86755198

未命名化合物

PROCEDURE

实验过程

(Electrospray MS m/z 614 [MH+ ]) from of N-benzoyl-L-valyl-L-alanyl-L-norleucine bromomethyl ketone and 2,3,4,5,6-pentafluorobenzoic acid.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-374d5ae4a94441e3a3f31b5784d5f55c
来源数据集: uspto-grants-2000_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06034066
来源说明: uspto-grants-2000_03

反应 SMILES

Br[CH2:2][C:3](CBr)=[O:4].[C:7]([NH:15][C@H:16]([C:20]([NH:22][C@H:23]([C:25]([NH:27][C@H:28]([C:33]([OH:35])=[O:34])[CH2:29][CH2:30][CH2:31][CH3:32])=[O:26])[CH3:24])=[O:21])[CH:17]([CH3:19])[CH3:18])(=[O:14])[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.[F:36][C:37]1[C:45]([F:46])=[C:44]([F:47])[C:43]([F:48])=[C:42]([F:49])[C:38]=1[C:39]([OH:41])=[O:40]>>[CH3:2][C:3]([O:40][C:39](=[O:41])[C:38]1[C:37]([F:36])=[C:45]([F:46])[C:44]([F:47])=[C:43]([F:48])[C:42]=1[F:49])=[O:4].[C:7]([NH:15][C@H:16]([C:20]([NH:22][C@H:23]([C:25]([NH:27][C@H:28]([C:33]([OH:35])=[O:34])[CH2:29][CH2:30][CH2:31][CH3:32])=[O:26])[CH3:24])=[O:21])[CH:17]([CH3:18])[CH3:19])(=[O:14])[C:8]1[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=1