HRID1518314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=Cc1sc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)nc1Cl

HCID59447544

未命名化合物

结构：CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1Br

HCID59447650

未命名化合物

PRODUCTS

生成物

$结构：C[Si](C)(C)CCOCn1/c(=N\C(=O)c2cccc3c2CN(c2nc(Cl)c(C=O)s2)CC3)sc2ccccc21$

HCID178504249

未命名化合物

PROCEDURE

实验过程

Compound 45B was prepared in a similar manner to the synthesis of compound 34C by substituting compound 34B with compound 45A in step 3 of Example 34. Compound 45B was isolated as a white solid by trituration of the mixture of two isomers with 1:4 hexanes:EtOAc. The other isomer was isolated from the mother liquor: 1H NMR (DMSO-d6): δ 9.71 (s, 1H), 8.24 (d, J=7.82 Hz, 1H), 7.92 (d, J=7.58 Hz, 1H), 7.70 (d, J=8.06 Hz, 1H), 7.53-7.56 (m, 1H), 7.36-7.46 (m, 3H), 6.01 (s, 2H), 5.35 (s, 2H), 3.85 (t, J=5.92 Hz, 2H), 3.72-3.75 (m, 2H), 3.11 (t, J=6.04 Hz, 2H). MS (ESI(+)): m/z 585 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ae837d9a5f84686a66d8f4134998fe7
来源数据集: uspto-grants-2012_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08232273B2
来源说明: uspto-grants-2012_07

反应 SMILES

S1C2C=CC=CC=2N=C1N([CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:41])([CH3:40])[CH3:39])C(C1C=CC=C2C=1CN(C1SC(Br)=C(C(OCC)=O)N=1)CC2)=O.[S:42]1[C:46]2[CH:47]=[CH:48][CH:49]=[CH:50][C:45]=2[N:44]=[C:43]1[NH:51][C:52]([C:54]1[CH:55]=[CH:56][CH:57]=[C:58]2[C:63]=1[CH2:62][N:61]([C:64]1[S:65][C:66]([CH:70]=[O:71])=[C:67]([Cl:69])[N:68]=1)[CH2:60][CH2:59]2)=[O:53]>>[Cl:69][C:67]1[N:68]=[C:64]([N:61]2[CH2:60][CH2:59][C:58]3[C:63](=[C:54]([C:52](/[N:51]=[C:43]4/[S:42][C:46]5[CH:47]=[CH:48][CH:49]=[CH:50][C:45]=5[N:44]/4[CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:41])([CH3:40])[CH3:39])=[O:53])[CH:55]=[CH:56][CH:57]=3)[CH2:62]2)[S:65][C:66]=1[CH:70]=[O:71]