HRID840420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15572666

1-(Piperidin-4-yl)tetrahydropyrimidin-2(1H)-one

C9H17N3O

结构：CN(CC(CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])cc2ccccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O

HCID70158743

未命名化合物

PRODUCTS

生成物

结构：CN(CC(CCN1CCC(N2CCCNC2=O)CC1)c1ccc(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])cc2ccccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O

HCID70159002

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

Using standard reductive amination conditions 4-(tetrahydro-2-oxo-1(2H)-pyrimidinyl)piperidine (Miller, S C; Jacobs, R T; Shenvi, A B. EP 739891) was reacted with N-[2-(3,4-difluorophenyl)-4-oxobutyl]-N-methyl-3-nitro-1-naphthamide [Example 13] and converted to the citrate salt. MS m/z 580 (M+H); analysis for C31H35F2N5O4.1.07 C6H8O7.1.06 H2O: calculated: C, 55.88; H, 5.72; N, 8.71. found: C, 55.94; H, 5.54; N 8.51.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d093e49935b4e729cf1dabcf757f6c9
来源数据集: uspto-grants-2002_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06365602B1
来源说明: uspto-grants-2002_04

反应 SMILES

[O:1]=[C:2]1[NH:7][CH2:6][CH2:5][CH2:4][N:3]1[CH:8]1[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1.[C:14]([OH:26])(=[O:25])[CH2:15][C:16]([CH2:21][C:22]([OH:24])=[O:23])([C:18]([OH:20])=[O:19])[OH:17].[F:27][C:28]1[CH:29]=[C:30]([CH:35]([CH2:54][CH2:55]N2CCC(C3C=CC=CC=3[S@](C)=O)CC2)[CH2:36][N:37]([CH3:53])[C:38]([C:40]2[C:49]3[C:44](=[CH:45][CH:46]=[CH:47][CH:48]=3)[CH:43]=[C:42]([N+:50]([O-:52])=[O:51])[CH:41]=2)=[O:39])[CH:31]=[CH:32][C:33]=1[F:34]>O>[C:14]([OH:26])(=[O:25])[CH2:15][C:16]([CH2:21][C:22]([OH:24])=[O:23])([C:18]([OH:20])=[O:19])[OH:17].[F:27][C:28]1[CH:29]=[C:30]([CH:35]([CH2:54][CH2:55][N:11]2[CH2:12][CH2:13][CH:8]([N:3]3[CH2:4][CH2:5][CH2:6][NH:7][C:2]3=[O:1])[CH2:9][CH2:10]2)[CH2:36][N:37]([CH3:53])[C:38]([C:40]2[C:49]3[C:44](=[CH:45][CH:46]=[CH:47][CH:48]=3)[CH:43]=[C:42]([N+:50]([O-:52])=[O:51])[CH:41]=2)=[O:39])[CH:31]=[CH:32][C:33]=1[F:34]