HRID1515054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)c1ccc(NC(=O)c2ccc(N)c(N)c2)cc1

HCID66966111

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：Cc1cc(CCCP(=O)(O)O)cc(C)c1-c1nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2[nH]1

HCID66966068

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 3,4-diamino-N-(4-tert-butylphenyl)-benzamide (from Example 6-26) and [(E)-3-(4-formyl-3,5-dimethylphenyl)-allyl]-phosphonic acid diethyl ester analogous to Example 6-32. 1H NMR (Methanol-d4, 400 MHz): δ 8.25 (dd, 1H), 7.92 (dd, 1H), 7.72 (dd, 1H), 7.63 (m, 2H), 7.42 (m, 2H), 7.06 (s, 2H), 2.73 (t, 2H), 2.14 (s, 6H), 1.95 (m, 2H), 1.69 (m, 2H), 1.33 (s, 9H). MS (m/z) 520.2 (M+1); Retention time: 1.19 min (Method 10).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16df952a5dad484087f9b3cb70f98fb6
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:13]=[CH:12][C:11]([C:14]([CH3:17])([CH3:16])[CH3:15])=[CH:10][CH:9]=1)=[O:6].C([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]CC)C>>[C:14]([C:11]1[CH:12]=[CH:13][C:8]([NH:7][C:5]([C:4]2[CH:18]=[CH:19][C:20]3[N:21]=[C:40]([C:36]4[C:35]([CH3:42])=[CH:34][C:33]([CH2:32][CH2:31][CH2:30][P:25](=[O:24])([OH:29])[OH:26])=[CH:38][C:37]=4[CH3:39])[NH:1][C:2]=3[CH:3]=2)=[O:6])=[CH:9][CH:10]=1)([CH3:17])([CH3:16])[CH3:15]