HRID1630127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

HCID67009137

未命名化合物

HCID67010654

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(CC(=O)N[C@@H](COCc2ccccc2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)CC1

HCID45376498

未命名化合物

收率 31.3%

PROCEDURE

实验过程

Proceeding as in Example 1, but substituting 2-(4-acetylpiperazin-1-yl)acetic acid hydrochloride and (S)-2-amino-3-(benzyloxy)-N-(4-(4-fluorophenoxy)phenyl)propanamide, gave Compound 230, (S)-2-(2-(4-acetylpiperazin-1-yl)acetamido)-3-(benzyloxy)-N-(4-(4-fluorophenoxy)phenyl)propanamide (13.4 mg, 31.3%). 1H-NMR (400 MHz, DMSO-D6): σ 10.22 (s, 1H), 8.03 (d, 1H), 7.99 (s, 1H), 7.61 (d, 2H), 7.30 (m, 5H), 7.21 (t, 2H), 7.00 (m, 4H), 4.70 (m, 1H), 4.52 (s, 2H), 3.73 (m, 2H), 3.34 (m, 4H), 3.06 (s, 2H), 2.41 (m, 4H). MS (EI) for C29H31FN4O5: 535.4 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd14209de6a0455ca80535a320a41d95
来源数据集: uspto-grants-2014_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08791102B2
来源说明: uspto-grants-2014_07

反应 SMILES

Cl.[C:2]([N:5]1[CH2:10][CH2:9][N:8]([CH2:11][C:12]([OH:14])=O)[CH2:7][CH2:6]1)(=[O:4])[CH3:3].[NH2:15][C@@H:16]([CH2:34][O:35][CH2:36][C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1)[C:17]([NH:19][C:20]1[CH:25]=[CH:24][C:23]([O:26][C:27]2[CH:32]=[CH:31][C:30]([F:33])=[CH:29][CH:28]=2)=[CH:22][CH:21]=1)=[O:18]>>[C:2]([N:5]1[CH2:6][CH2:7][N:8]([CH2:11][C:12]([NH:15][C@@H:16]([CH2:34][O:35][CH2:36][C:37]2[CH:38]=[CH:39][CH:40]=[CH:41][CH:42]=2)[C:17]([NH:19][C:20]2[CH:21]=[CH:22][C:23]([O:26][C:27]3[CH:32]=[CH:31][C:30]([F:33])=[CH:29][CH:28]=3)=[CH:24][CH:25]=2)=[O:18])=[O:14])[CH2:9][CH2:10]1)(=[O:4])[CH3:3]