HRID1518402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13576239

4-[2-(1-Pyrrolidinyl)ethoxy]phenol

C12H17NO2

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

HCID59447465

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1ccc(CCCOc3ccc(OCCN4CCCC4)cc3)c(C(=O)O)n1)CC2

HCID59447542

未命名化合物

PROCEDURE

实验过程

The title compound 106 was prepared in a similar manner to the synthesis of compound 105 by substituting compound 87C with compound 106B: 1H NMR (DMSO-d6): δ 12.84 (s, 1H), 9.68 (s, 1H), 8.04 (d, J=7.93 Hz, 1H), 7.79 (d, J=8.24 Hz, 7.60 (d, J=7.32 Hz, 1H), 7.56 (d, J=8.54 Hz, 1H), 7.34-7.50 (m, 4H), 6.86-6.97 (m, 6H), 4.92 (s, 2H), 4.19-4.21 (m, 2H), 3.86-3.89 (m, 6H), 3.08-3.13 (m, 4H), 2.98 (t, J=5.8 Hz, 1H), 2.79-2.82 (m, 2H), 1.87-2.05 (m, 6H) ESI (+)/MS: 678 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e104a7dcca7040178c4a328c362a976f
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].[N:49]1([CH2:54][CH2:55][O:56]C2C=CC(O)=CC=2)[CH2:53][CH2:52][CH2:51][CH2:50]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:41]=[CH:40][C:39]([O:56][CH2:55][CH2:54][N:49]4[CH2:53][CH2:52][CH2:51][CH2:50]4)=[CH:38][CH:37]=3)=[CH:25][CH:24]=1)[CH2:19][CH2:18]2)=[O:12]