HRID15167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=c1ccc2ncc(F)c3c2n1CC3(F)CN1CCC(NCc2cc3c(cn2)OCCO3)CC1

HCID23633546

未命名化合物

结构：NC1CCN(CC2(F)Cn3c(=O)ccc4ncc(F)c2c43)CC1

HCID23634204

未命名化合物

结构：Cl.Cl.NC1CCN(CC2(F)Cn3c(=O)ccc4ncc(F)c2c43)CC1

HCID131728168

未命名化合物

PRODUCTS

生成物

HCID6363

Isopropylamine

C3H9N

HCID23633546

未命名化合物

HCID23634204

未命名化合物

PROCEDURE

实验过程

4.3 g of the free base of (4R/S)-4-[(4-amino-1-piperidinyl)methyl]-3,4-difluoro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one dihydrochloride was resolved by preparative chiral HPLC into the two enantiomers E1 and E2 using a Cliralpak AD column, eluting with 50:50:0.1 acetonitrile:methanol:isopropylamine, affording enantiomers E1 (first eluting) and E2 (second eluting).

WORKUP

后处理

washeluting with 50:50:0.1 acetonitrile

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30e16d7de16b4a3991b33e489d3eaf00
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07732460B2
来源说明: uspto-grants-2010_06

反应 SMILES

Cl.Cl.[NH2:3][CH:4]1[CH2:9]CN(CC2(F)C3=C(F)C=NC4C=CC(=O)N(C=43)C2)C[CH2:5]1.[O:26]1[C:35]2[CH:34]=[C:33]([CH2:36][NH:37][CH:38]3[CH2:43][CH2:42][N:41]([CH2:44][C:45]4([F:59])[C:49]5=[C:50]([F:58])[CH:51]=[N:52][C:53]6[CH:54]=[CH:55][C:56](=[O:57])[N:47]([C:48]=65)[CH2:46]4)[CH2:40][CH2:39]3)[N:32]=[CH:31][C:30]=2[O:29][CH2:28][CH2:27]1.[NH2:60][CH:61]1[CH2:66][CH2:65][N:64]([CH2:67][C:68]2([F:82])[C:72]3=[C:73]([F:81])[CH:74]=[N:75][C:76]4[CH:77]=[CH:78][C:79](=[O:80])[N:70]([C:71]=43)[CH2:69]2)[CH2:63][CH2:62]1>>[CH:4]([NH2:3])([CH3:9])[CH3:5].[O:26]1[C:35]2[CH:34]=[C:33]([CH2:36][NH:37][CH:38]3[CH2:43][CH2:42][N:41]([CH2:44][C:45]4([F:59])[C:49]5=[C:50]([F:58])[CH:51]=[N:52][C:53]6[CH:54]=[CH:55][C:56](=[O:57])[N:47]([C:48]=65)[CH2:46]4)[CH2:40][CH2:39]3)[N:32]=[CH:31][C:30]=2[O:29][CH2:28][CH2:27]1.[NH2:60][CH:61]1[CH2:62][CH2:63][N:64]([CH2:67][C:68]2([F:82])[C:72]3=[C:73]([F:81])[CH:74]=[N:75][C:76]4[CH:77]=[CH:78][C:79](=[O:80])[N:70]([C:71]=43)[CH2:69]2)[CH2:65][CH2:66]1