HRID1518337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：N#Cc1cscc1-c1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cc1

HCID46836245

未命名化合物

HCID136027724

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccnc1-c1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cc1

HCID46836307

未命名化合物

PROCEDURE

实验过程

Title compound 56 was prepared in a similar manner to the synthesis of compound 51 by substituting compound 51A with compound 56A in step 2 of Example 51: 1H NMR (DMSO-d6): δ 8.86 (dd, J=4.76, 1.69 Hz, 1H), 8.34 (dd, J=7.82, 1.69 Hz, 1H), 8.01 (d, J=7.67 Hz, 1H), 7.82 (d, J=8.9 Hz, 2H), 7.77 (d, J=7.98 Hz, 1H), 7.66 (d, J=7.36 Hz, 1H), 7.32-7.53 (m, 5H), 7.07 (d, J=8.9 Hz, 2H), 4.83 (s, 2H), 4.07 (t, J=6.14 Hz, 2H), 3.70-3.73 (m, 2H), 3.18-3.22 (m, 2H), 3.01-3.03 (m, 2H), 2.00-2.08 (m, 2H). ESI (+)/MS: 673 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b3f7fe7324b47468b7b926176afbd88
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

[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[NH:10][C:11]([C:13]1[CH:14]=[CH:15][CH:16]=[C:17]2[C:22]=1[CH2:21][N:20]([C:23]1[S:24][C:25]([CH2:31][CH2:32][CH2:33]OC3C=CC(C4C(C#N)=CSC=4)=CC=3)=[C:26]([C:28]([OH:30])=[O:29])[N:27]=1)[CH2:19][CH2:18]2)=[O:12].[OH:48][C:49]1[CH:54]=[CH:53][C:52]([C:55]2[N:62]=[CH:61][CH:60]=[CH:59][C:56]=2[C:57]#[N:58])=[CH:51][CH:50]=1>>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[NH:10][C:11]([C:13]1[CH:14]=[CH:15][CH:16]=[C:17]2[C:22]=1[CH2:21][N:20]([C:23]1[S:24][C:25]([CH2:31][CH2:32][CH2:33][O:48][C:49]3[CH:54]=[CH:53][C:52]([C:55]4[C:56]([C:57]#[N:58])=[CH:59][CH:60]=[CH:61][N:62]=4)=[CH:51][CH:50]=3)=[C:26]([C:28]([OH:30])=[O:29])[N:27]=1)[CH2:19][CH2:18]2)=[O:12]