HRID1518359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID13576238

未命名化合物

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

HCID46836245

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCOc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cc1

HCID46836647

未命名化合物

PROCEDURE

实验过程

The title compound 75 was prepared as a TFA salt in a similar manner to the synthesis of compound 51 by substituting compound 51A with compound 75B: 1H NMR (DMSO-d6): δ 12.85 (s, 1H), 9.58 (s, 1H), 8.03 (d, J=7.67 Hz, 1H), 7.79 (d, J=7.67 Hz, 1H), 7.67 (d, J=7.06 Hz, 1H), 7.33-7.50 (m, 4H), 6.86-6.93 (m 4H), 4.83 (s, 2H), 4.21-4.24 (m, 2H), 3.92 (t, J=6.29 Hz, 2H), 3.73 (t, J=5.98 Hz, 2H), 3.15-3.18 (m, 2H), 3.03 (t, J=5.98 Hz, 2H), 2.85 (s, 6H), 1.94-2.01 (m, 2H). ESI (+)/MS: 658 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58772ce906ee4e04aede28a02d86c175
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

C(O)(C(F)(F)F)=O.[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[NH:17][C:18]([C:20]1[CH:21]=[CH:22][CH:23]=[C:24]2[C:29]=1[CH2:28][N:27]([C:30]1[S:31][C:32]([CH2:38][CH2:39][CH2:40]OC3C=CC(C4C(C#N)=CSC=4)=CC=3)=[C:33]([C:35]([OH:37])=[O:36])[N:34]=1)[CH2:26][CH2:25]2)=[O:19].[CH3:55][N:56]([CH3:67])[CH2:57][CH2:58][O:59][C:60]1[CH:65]=[CH:64][C:63]([OH:66])=[CH:62][CH:61]=1>>[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[NH:17][C:18]([C:20]1[CH:21]=[CH:22][CH:23]=[C:24]2[C:29]=1[CH2:28][N:27]([C:30]1[S:31][C:32]([CH2:38][CH2:39][CH2:40][O:66][C:63]3[CH:64]=[CH:65][C:60]([O:59][CH2:58][CH2:57][N:56]([CH3:67])[CH3:55])=[CH:61][CH:62]=3)=[C:33]([C:35]([OH:37])=[O:36])[N:34]=1)[CH2:26][CH2:25]2)=[O:19]