HRID1250708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1=C(C(=O)O)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1

HCID10587936

未命名化合物

结构：COCC1=C(C(=O)O)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1

HCID10780384

(4R)-4-(3,4-Difluorophenyl)-1,2,3,4-tetrahydro-6-(methoxymethyl)-2-oxo-5-pyrimidinecarboxylic acid

C13H12F2N2O4

HCID18326620

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1

HCID59870645

未命名化合物

PROCEDURE

实验过程

1-(3-Amino-propyl)-4-(4-fluorophenyl)-piperidine-4-ol dihydrochloride was used in place of 2-(1-(3-Amino-propyl)-piperidine-4-yl]-5-fluoro-benzonitrile dihydrochloride and (4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid was used go in place of (4R)-4-(3,4-difluorophenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d619f1a21504804b615d628fc633518
来源数据集: uspto-grants-2002_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06339090B1
来源说明: uspto-grants-2002_01

反应 SMILES

Cl.Cl.[NH2:3][CH2:4][CH2:5][CH2:6][N:7]1[CH2:12][CH2:11][C:10]([C:14]2[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=2)([OH:13])[CH2:9][CH2:8]1.[F:21][C:22]1[CH:23]=[C:24]([C@@H:29]2[C:34]([C:35](O)=[O:36])=[C:33]([CH3:38])[NH:32][C:31](=[O:39])[NH:30]2)[CH:25]=[CH:26][C:27]=1[F:28].FC1C=C([C@@H]2C(C(O)=O)=C(COC)NC(=O)N2)C=CC=1F>>[F:20][C:17]1[CH:16]=[CH:15][C:14]([C:10]2([OH:13])[CH2:9][CH2:8][N:7]([CH2:6][CH2:5][CH2:4][NH:3][C:35]([C:34]3[C@@H:29]([C:24]4[CH:25]=[CH:26][C:27]([F:28])=[C:22]([F:21])[CH:23]=4)[NH:30][C:31](=[O:39])[NH:32][C:33]=3[CH3:38])=[O:36])[CH2:12][CH2:11]2)=[CH:19][CH:18]=1