4-Morpholinophenol → 2-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-morpholin-4-yl-phenoxy)-propyl]-thiazole-4-carboxylic acid
반응식
[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:34][C:35]3[CH:40]=[CH:39][C:38](C4C(C#N)=CSC=4)=[CH:37][CH:36]=3)=[C:26]([C:28]([OH:30])=[O:29])[N:27]=1)[CH2:19][CH2:18]2)=[O:12].[O:48]1[CH2:53][CH2:52][N:51](C2C=CC(O)=CC=2)[CH2:50][CH2:49]1>>[S:1]1[C:5]2[CH:4]=[CH:9][CH:8]=[CH:7][C:6]=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:34][C:35]3[CH:40]=[CH:39][C:38]([N:51]4[CH2:52][CH2:53][O:48][CH2:49][CH2:50]4)=[CH:37][CH:36]=3)=[C:26]([C:28]([OH:30])=[O:29])[N:27]=1)[CH2:19][CH2:18]2)=[O:12]참가 물질
3
반응물 2
생성물 1
실험 절차
The title compound was prepared in a similar manner to the synthesis of compound 51 by substituting compound 51A with 4-morpholinophenol in step 2 of Example 51: 1H NMR (DMSO-d6): δ 7.96 (d, J=7.67 Hz, 1H), 7.72 (d, J=7.98 Hz, 1H), 7.60 (d, J=7.06 Hz, 1H), 7.27-7.42 (m, 4H), 6.88 (d, J=8.9 Hz, 2H), 6.75-6.79 (m, 2H), 4.76 (s, 2H), 3.85 (t, J=6.29 Hz, 2H), 3.64-3.68 (m, 6H), 3.07-3.11 (m, 2H), 2.95-2.98 (m, 6H), 1.87-1.94 (m, 2H). ESI (+)/MS: 656 (M+H)+.