HRID1518410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN1CCN(c2cccc(OCCCc3ccc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)c2)CC1

HCID59447465

未命名化合物

HCID136027727

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCOc1cnc(-c2ccc(OCCCc3ccc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)cc2)nc1

HCID59447493

未命名化合物

PROCEDURE

实验过程

The title compound 112D was prepared in a similar manner to the synthesis of compound 105 by substituting compound 87A with compound 112C: 1H NMR (DMSO-d6): δ 12.84 (s, 1H), 9.70 (s, 1H), 8.64 (s, 2H), 8.23 (d, J=8.85 Hz, 2H), 8.04 (d, J=7.93 Hz, 1H), 7.79 (d, J=8.24 Hz, 1H), 7.57-7.61 (m, 2H), 7.34-7.49 (m, 4H), 7.02 (t, J=8.85 Hz, 2H), 6.97 (d, J=8.85 Hz, 1H), 4.93 (s, 2H), 4.52-4.54 (m, 2H), 4.01 (t, J=6.41 Hz, 2H), 3.87 (t, J=5.95 Hz, 2H), 2.95 (t, J=5.8 Hz, 2H), 2.82-2.85 (m, 2H), 1.95-2.00 (m, 2H): ESI (+)/MS: 730 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7701b1091bd46c387abeede608452a8
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[N:28]=[C:27]([C:29]([OH:31])=[O:30])[C:26]([CH2:32][CH2:33][CH2:34][O:35][C:36]3[CH:41]=[CH:40][CH:39]=[C:38](N4CCN(C)CC4)[CH:37]=3)=[CH:25][CH:24]=1)[CH2:19][CH2:18]2)=[O:12].[CH3:49][N:50]([CH3:67])[CH2:51][CH2:52][O:53][C:54]1[CH:55]=[N:56][C:57](C2C=CC(O)=CC=2)=[N:58][CH:59]=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[N:28]=[C:27]([C:29]([OH:31])=[O:30])[C:26]([CH2:32][CH2:33][CH2:34][O:35][C:36]3[CH:37]=[CH:38][C:39]([C:57]4[N:56]=[CH:55][C:54]([O:53][CH2:52][CH2:51][N:50]([CH3:67])[CH3:49])=[CH:59][N:58]=4)=[CH:40][CH:41]=3)=[CH:25][CH:24]=1)[CH2:19][CH2:18]2)=[O:12]