HRID637206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CCOCCn1c(N2CCCN(CCC3(c4ccccc4)CCNC3)CC2)nc2ccccc21.Cl

HCID18464957

未命名化合物

HCID21942568

5-Cyano-2-methoxybenzoic acid

C9H7NO3

PRODUCTS

产物

反应SMILES：CCOCCn1c(N2CCCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(C#N)ccc4OC)C3)CC2)nc2ccccc21

HCID18465074

未命名化合物

PROCEDURE

实验过程

Prepare by the method of Example 56.1 using 2-methoxy-5-cyanobenzoic acid and 3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine hydrochloric acid salt (prepared from (−)-3-(2-hydroxyethyl)-3-phenylpyrrolidine(R,R)-di-p-anisoyltartaric acid salt) to give the title compound.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-45a1b68add494b729aaf778a49905046
来源数据集: uspto-grants-2001_02
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US06194406B1
来源说明: uspto-grants-2001_02

反应SMILES

[CH3:1][O:2][C:3]1[CH:11]=[CH:10][C:9]([C:12]#[N:13])=[CH:8][C:4]=1[C:5]([OH:7])=O.Cl.[CH2:15]([O:17][CH2:18][CH2:19][N:20]1[C:24]2[CH:25]=[CH:26][CH:27]=[CH:28][C:23]=2[N:22]=[C:21]1[N:29]1[CH2:35][CH2:34][CH2:33][N:32]([CH2:36][CH2:37][C:38]2([C:43]3[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=3)[CH2:42][CH2:41][NH:40][CH2:39]2)[CH2:31][CH2:30]1)[CH3:16]>>[CH3:1][O:2][C:3]1[CH:11]=[CH:10][C:9]([C:12]#[N:13])=[CH:8][C:4]=1[C:5]([N:40]1[CH2:41][CH2:42][C:38]([CH2:37][CH2:36][N:32]2[CH2:33][CH2:34][CH2:35][N:29]([C:21]3[N:20]([CH2:19][CH2:18][O:17][CH2:15][CH3:16])[C:24]4[CH:25]=[CH:26][CH:27]=[CH:28][C:23]=4[N:22]=3)[CH2:30][CH2:31]2)([C:43]2[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=2)[CH2:39]1)=[O:7]