HRID1094062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：COc1ccc(F)cc1-c1c(CN)c(NCc2ccc3ccccc3c2)nc2c1c(=O)n(C)c(=O)n2C

HCID24970297

未命名化合物

HCID43141682

未命名化合物

反应SMILES：COc1ccc(F)cc1-c1c(C#N)c(N)nc2c1c(=O)n(C)c(=O)n2C

HCID59353132

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(F)cc1-c1c(CN)c(NCc2cccc(OCC(C)C)c2)nc2c1c(=O)n(C)c(=O)n2C

HCID25115529

未命名化合物

PROCEDURE

实验过程

The synthesis of title compounds started from Compound 70a and 1-(bromomethyl)-3-isobutoxybenzene, according to procedures described in the synthesis of Compound 70. 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 0.96 (d, J=6.6 Hz, 6H) 1.95-2.04 (m, 1H) 3.19 (s, 3H) 3.53 (s, 1H) 3.65 (d, J=8.6 Hz, 2H) 3.69 (s, 3H) 3.88 (d, J=14.4 Hz, 1H) 4.55 (d, J=14.9 Hz, 1H) 4.68 (d, J=14.9 Hz, 1H) 6.67 (dd, J=8.3, 3.0 Hz, 1H) 6.73 (dd, J=7.9, 2.1 Hz, 1H) 6.85-6.92 (m, 2H) 6.98 (dd, J=9.1, 4.3 Hz 1H) 7.05-7.12 (m, 1H) 7.14 (t, J=8.0 Hz 1H). MS [m+H] calc'd C28H33FN5O4 522. found 522.

WORKUP

后处理

customThe synthesis of title compounds

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-610d7f03622d425ba95f2c9532d40baa
来源数据集: uspto-grants-2012_03
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08133898B2
来源说明: uspto-grants-2012_03

反应SMILES

[NH2:1][C:2]1[C:3]([C:25]#[N:26])=[C:4]([C:16]2[CH:21]=[C:20]([F:22])[CH:19]=[CH:18][C:17]=2[O:23][CH3:24])[C:5]2[C:10](=[O:11])[N:9]([CH3:12])[C:8](=[O:13])[N:7]([CH3:14])[C:6]=2[N:15]=1.Br[CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[C:31]([O:35][CH2:36][CH:37]([CH3:39])[CH3:38])[CH:30]=1.NCC1C(NCC2C=CC3C(=CC=CC=3)C=2)=NC2N(C)C(=O)N(C)C(=O)C=2C=1C1C=C(F)C=CC=1OC>>[NH2:26][CH2:25][C:3]1[C:2]([NH:1][CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[C:31]([O:35][CH2:36][CH:37]([CH3:39])[CH3:38])[CH:30]=2)=[N:15][C:6]2[N:7]([CH3:14])[C:8](=[O:13])[N:9]([CH3:12])[C:10](=[O:11])[C:5]=2[C:4]=1[C:16]1[CH:21]=[C:20]([F:22])[CH:19]=[CH:18][C:17]=1[O:23][CH3:24]