HRID578487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)c1nc(Nc2ccc3c(c2)OCCO3)nc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-]

HCID22060817

未命名化合物

结构：CCOC(=O)c1nc(Nc2cccc(O)c2)nc(Nc2cccc(O)c2)c1N

HCID22060881

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc(Nc2ccc3c(c2)OCCO3)nc(Nc2ccc3c(c2)OCCO3)c1N

HCID22060769

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23938

Palladium

PROCEDURE

实验过程

In a manner similar to the preparation of 5-amino-6-ethoxycarbonyl-N2,N4-bis(3-hydroxyphenyl)-2,4-pyrimidinediamine, 6-ethoxycarbonyl-N2,N4-bis(3,4-ethylenedioxyphenyl)-5-nitro-2,4-pyrimidinediamine, hydrogen, and 10% Pd/C were reacted to yield 5-amino-6-ethoxycarbonyl-N2,N4-bis(3,4-ethylenedioxyphenyl)-2,4-pyrimidinediamine. 1H NMR (CD3OD): δ 7.16 (d, 1H, J=2.4 Hz), 7.07 (d, 1H, J=2.4 Hz), 7.04 (dd, 1H, J=2.4 and 9.0 Hz), 6.84-6.79 (m, 2H), 6.70 (d, 1H, J=9.0), 4.43 (q, 2H, J=7.8 Hz), 4.25 (s, 4H), 4.21 (bs, 4H), 1.43 (t, 3H, J=7.8 Hz); LCMS: ret. time: 23.70 min.; purity: 100%; MS (m/e): 466 (MH+).

WORKUP

后处理

customwere reacted

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7da90c441ec844aa8c994be5376429e7
来源数据集: uspto-grants-2015_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09040550B2
来源说明: uspto-grants-2015_05

反应 SMILES

NC1C(NC2C=CC=C(O)C=2)=NC(NC2C=CC=C(O)C=2)=NC=1C(OCC)=O.[CH2:29]([O:31][C:32]([C:34]1[N:39]=[C:38]([NH:40][C:41]2[CH:46]=[CH:45][C:44]3[O:47][CH2:48][CH2:49][O:50][C:43]=3[CH:42]=2)[N:37]=[C:36]([NH:51][C:52]2[CH:57]=[CH:56][C:55]3[O:58][CH2:59][CH2:60][O:61][C:54]=3[CH:53]=2)[C:35]=1[N+:62]([O-])=O)=[O:33])[CH3:30].[H][H]>[Pd]>[NH2:62][C:35]1[C:36]([NH:51][C:52]2[CH:57]=[CH:56][C:55]3[O:58][CH2:59][CH2:60][O:61][C:54]=3[CH:53]=2)=[N:37][C:38]([NH:40][C:41]2[CH:46]=[CH:45][C:44]3[O:47][CH2:48][CH2:49][O:50][C:43]=3[CH:42]=2)=[N:39][C:34]=1[C:32]([O:31][CH2:29][CH3:30])=[O:33]