HRID840417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C[C@@H](CC=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12

HCID18715645

未命名化合物

HCID22622334

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)CC2)c(S(C)(=O)=O)c1.Cl

HCID18715621

未命名化合物

PROCEDURE

实验过程

Using standard reductive amination conditions N-[2-(S)-(3,4-dichlorophenyl)-4-oxobutyl]-N-methyl-3-cyano-1-naphthamide (0.130 g) was reacted with 4-(2-methylsulfonyl-4-methoxyphenyl)piperidine (0.082 g) and the product (0.074 g) was converted to the hydrochloride salt. MS m/z 678 (M+H). 1H NMR (DMSO-d6) δ 10.57 (m, 1H), 8.62 (m, 1H), 8.10 (m, 1H), 7.95-7.00 (m, 10H), 3.83 (s, 3H), 3.32 (s, 3H), 3.64-1.65 (m, 19H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0252e0cc72e6406c8d3803d75bad39a8
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

[Cl:1][C:2]1[CH:3]=[C:4]([C@H:9]([CH2:27][CH:28]=O)[CH2:10][N:11]([CH3:26])[C:12]([C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[CH:17]=[C:16]([C:24]#[N:25])[CH:15]=2)=[O:13])[CH:5]=[CH:6][C:7]=1[Cl:8].[CH3:30][S:31]([C:34]1[CH:39]=[C:38]([O:40][CH3:41])[CH:37]=[CH:36][C:35]=1[CH:42]1[CH2:47][CH2:46][NH:45][CH2:44][CH2:43]1)(=[O:33])=[O:32]>>[ClH:1].[Cl:1][C:2]1[CH:3]=[C:4]([C@H:9]([CH2:27][CH2:28][N:45]2[CH2:44][CH2:43][CH:42]([C:35]3[CH:36]=[CH:37][C:38]([O:40][CH3:41])=[CH:39][C:34]=3[S:31]([CH3:30])(=[O:33])=[O:32])[CH2:47][CH2:46]2)[CH2:10][N:11]([CH3:26])[C:12]([C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[CH:17]=[C:16]([C:24]#[N:25])[CH:15]=2)=[O:13])[CH:5]=[CH:6][C:7]=1[Cl:8]