HRID1518353

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

结构：COC(=O)c1nc(N2CCc3cccc(C(=O)/C=C4/Sc5ccccc5N4COCC[Si](C)(C)C)c3C2)sc1CN1CCC1c1ccccc1

HCID59447568

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(CN3CCC3c3ccccc3)s1)CC2

HCID46836573

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in a similar manner to the synthesis of compound 51 by substituting compound 51A with compound 71A: 1H NMR (DMSO-d6): δ 12.89 (s, 1H), 8.04 (d, J=7.36 Hz, 1H), 7.80 (d, J=7.98 Hz, 1H), 7.70 (d, J=7.37 Hz, 1H), 7.34-7.54 (m, 9H), 5.47 (br, 1H), 4.70-4.95 (m, 4H), 4.40 (br, s, 1H), 3.88 (br, 1H), 3.76 (d, J=5.83 Hz, 2H), 2.60-2.8 (br, s, 2H). ESI (+)/MS: 582 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6612f7cfee8403e804129548e06ca81
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]CCOC3C=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].[C:48]1([CH:54]2[CH2:57][CH2:56][N:55]2CC2SC(N3CCC4C(=C(C(=O)/C=C5/SC6C=CC=CC=6N/5COCC[Si](C)(C)C)C=CC=4)C3)=NC=2C(OC)=O)[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=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][N:55]3[CH2:56][CH2:57][CH:54]3[C:48]3[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=3)=[C:26]([C:28]([OH:30])=[O:29])[N:27]=1)[CH2:19][CH2:18]2)=[O:12]