HRID1515048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66965740

未命名化合物

结构：CCOP(=O)(C/C=C/c1cc(C)c(C=O)c(C)c1)OCC

HCID86632823

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CCCc1cc(C)c(-c2nc3ccc(C(=O)Nc4ccc5ccccc5n4)cc3[nH]2)c(C)c1)OCC

HCID86651280

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 3,4-diamino-N-quinolin-2-yl-benzamide and [(E)-3-(4-formyl-3,5-dimethylphenyl)-allyl]-phosphonic acid diethyl ester analogous to Example 6-32 (steps 2 and 3). 1H NMR (Methanol-d4, 400 MHz): δ 8.46 (d, 1H), 8.39 (d, 1H), 8.30 (s, 1H), 8.05 (d, 1H), 7.93 (d, 2H), 7.83 (s, 1H), 7.76 (m, 1H), 7.55 (m, 1H), 7.09 (s, 2H), 4.14 (m, 4H), 2.78 (t, 2H), 2.18 (s, 6H), 1.96 (m, 2H), 1.85 (m, 2H), 1.34 (t, 6H). MS (m/z) 571.4 (M+1); Retention time: 1.41 min (Method 10).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a15e876e28e4d63b583acfd14dbafed
来源数据集: uspto-grants-2012_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08222248B2
来源说明: uspto-grants-2012_07

反应 SMILES

[NH2:1][C:2]1[CH:3]=[C:4]([CH:18]=[CH:19][C:20]=1[NH2:21])[C:5]([NH:7][C:8]1[CH:17]=[CH:16][C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[N:9]=1)=[O:6].[CH2:22]([O:24][P:25]([CH2:30]/[CH:31]=[CH:32]/[C:33]1[CH:38]=[C:37]([CH3:39])[C:36]([CH:40]=O)=[C:35]([CH3:42])[CH:34]=1)(=[O:29])[O:26][CH2:27][CH3:28])[CH3:23]>>[CH2:27]([O:26][P:25]([CH2:30][CH2:31][CH2:32][C:33]1[CH:34]=[C:35]([CH3:42])[C:36]([C:40]2[NH:1][C:2]3[CH:3]=[C:4]([C:5](=[O:6])[NH:7][C:8]4[CH:17]=[CH:16][C:15]5[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=5)[N:9]=4)[CH:18]=[CH:19][C:20]=3[N:21]=2)=[C:37]([CH3:39])[CH:38]=1)(=[O:29])[O:24][CH2:22][CH3:23])[CH3:28]