HRID2185911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22452668

未命名化合物

结构：CN(CC(CC=O)c1ccc(F)c(F)c1)C(=O)c1cccc2c1CCCC2

HCID22452683

未命名化合物

PRODUCTS

生成物

结构：CN(CC(CCN1CCC(c2ccccc2S(C)(=O)=O)CC1)c1ccc(F)c(F)c1)C(=O)c1cccc2c1CCCC2

HCID22452689

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 N-[2-(3,4-difluorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide was reacted with 4-[2-methylsulfonylphenyl]piperidine and converted to the citrate salt. MS: m/z 595 (M+H). Analysis for C34H40F2N2O3S.C6H8O7.1.4 H2O: calculated: C, 59.16; H, 6.31; N, 3.45; found: C, 59.04; H, 6.10; N, 4.08.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b198e5e829f046c9a936ee585b7a32f2
来源数据集: uspto-grants-2002_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06403601B1
来源说明: uspto-grants-2002_06

反应 SMILES

[F:1][C:2]1[CH:3]=[C:4]([CH:9]([CH2:25][CH:26]=O)[CH2:10][N:11]([CH3:24])[C:12]([C:14]2[C:23]3[CH2:22][CH2:21][CH2:20][CH2:19][C:18]=3[CH:17]=[CH:16][CH:15]=2)=[O:13])[CH:5]=[CH:6][C:7]=1[F:8].[CH3:28][S:29]([C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=1[CH:38]1[CH2:43][CH2:42][NH:41][CH2:40][CH2:39]1)(=[O:31])=[O:30]>O>[F:1][C:2]1[CH:3]=[C:4]([CH:9]([CH2:25][CH2:26][N:41]2[CH2:40][CH2:39][CH:38]([C:33]3[CH:34]=[CH:35][CH:36]=[CH:37][C:32]=3[S:29]([CH3:28])(=[O:31])=[O:30])[CH2:43][CH2:42]2)[CH2:10][N:11]([CH3:24])[C:12]([C:14]2[C:23]3[CH2:22][CH2:21][CH2:20][CH2:19][C:18]=3[CH:17]=[CH:16][CH:15]=2)=[O:13])[CH:5]=[CH:6][C:7]=1[F:8]