HRID446548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4661

4-Nitrophenylacetic acid

C8H7NO4

结构：CNCCCN(C)C(=O)CO[C@H]1Cc2ccccc2C12CCN(CC[C@@]1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID86663419

未命名化合物

PRODUCTS

生成物

结构：CN(CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)CO[C@H]1Cc2ccccc2C12CCN(CC[C@@]1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID86663451

未命名化合物

收率 94.2%

PROCEDURE

实验过程

(4-Nitrophenyl)acetic acid (52 mg, 0.287 mmol) and the compound (186 mg, 0.239 mmol) obtained in Example 1k were used to give the title compound (212 mg; yield, 94%) as a colorless oily substance according to the method described in Example 41a.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87834bdd39d147cab3b582a169233697
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08476253B2
来源说明: uspto-grants-2013_07

反应 SMILES

[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([CH2:10][C:11]([OH:13])=O)=[CH:6][CH:5]=1)([O-:3])=[O:2].[F:14][C:15]([F:68])([F:67])[C:16]1[CH:17]=[C:18]([CH:60]=[C:61]([C:63]([F:66])([F:65])[F:64])[CH:62]=1)[C:19]([N:21]1[CH2:25][C@@:24]([CH2:33][CH2:34][N:35]2[CH2:40][CH2:39][C:38]3([C:48]4[C:43](=[CH:44][CH:45]=[CH:46][CH:47]=4)[CH2:42][C@@H:41]3[O:49][CH2:50][C:51]([N:53]([CH3:59])[CH2:54][CH2:55][CH2:56][NH:57][CH3:58])=[O:52])[CH2:37][CH2:36]2)([C:26]2[CH:31]=[CH:30][C:29]([F:32])=[CH:28][CH:27]=2)[O:23][CH2:22]1)=[O:20]>>[F:66][C:63]([F:64])([F:65])[C:61]1[CH:60]=[C:18]([CH:17]=[C:16]([C:15]([F:14])([F:68])[F:67])[CH:62]=1)[C:19]([N:21]1[CH2:25][C@@:24]([CH2:33][CH2:34][N:35]2[CH2:36][CH2:37][C:38]3([C:48]4[C:43](=[CH:44][CH:45]=[CH:46][CH:47]=4)[CH2:42][C@@H:41]3[O:49][CH2:50][C:51]([N:53]([CH3:59])[CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[C:11](=[O:13])[CH2:10][C:7]3[CH:6]=[CH:5][C:4]([N+:1]([O-:3])=[O:2])=[CH:9][CH:8]=3)=[O:52])[CH2:39][CH2:40]2)([C:26]2[CH:27]=[CH:28][C:29]([F:32])=[CH:30][CH:31]=2)[O:23][CH2:22]1)=[O:20]