HRID1518351

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

HCID59447503

未命名化合物

PRODUCTS

生成物

结构：CC(C)Nc1ncnc2c(-c3ccc(OCCCc4sc(N5CCc6cccc(C(=O)Nc7nc8ccccc8s7)c6C5)nc4C(=O)O)cc3)csc12

HCID46836571

未命名化合物

PROCEDURE

实验过程

The title compound 69 was prepared in a similar manner to the synthesis of compound 51 by substituting compound 51A with compound 69B: 1H NMR (DMSO-d6): δ 8.59 (s, 1H), 8.25 (s, 1H), 8.00 (d, J=7.67 Hz, 1H), 7.66-7.79 (m, 4H), 7.32-7.48 (m, 4H), 7.03 (d, J=8.59 Hz, 2H), 4.84 (s, 2H), 4.41-4.47 (m, 1H), 4.05 (t, J=6.14 Hz, 2H), 3.72-3.75 (m, 2H), 3.19-3.22 (m, 2H), 3.03 (t, J=5.98 Hz, 2H), 2.00-2.08 (m, 2H), 1.28 (d, J=6.44 Hz, 6H). ESI (+)/MS: 762 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-796d9f8d78684bdfb69d34112b24e4f4
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][O:34][C:35]3[CH:40]=[CH:39][C:38]([C:41]4[C:45](C#N)=[CH:44][S:43][CH:42]=4)=[CH:37][CH:36]=3)=[C:26]([C:28]([OH:30])=[O:29])[N:27]=1)[CH2:19][CH2:18]2)=[O:12].C([NH:51][C:52]1[C:53]2SC=[C:58](C3C=CC(O)=CC=3)[C:54]=2[N:55]=[CH:56][N:57]=1)(C)C>>[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:36]=[CH:37][C:38]([C:41]4[C:45]5[N:51]=[CH:52][N:57]=[C:56]([NH:55][CH:54]([CH3:58])[CH3:53])[C:44]=5[S:43][CH:42]=4)=[CH:39][CH:40]=3)=[C:26]([C:28]([OH:30])=[O:29])[N:27]=1)[CH2:19][CH2:18]2)=[O:12]