HRID1094061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1502047

3-Benzyloxybenzyl bromide

C14H13BrO

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

HCID24970297

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(OCc3ccccc3)c2)nc2c1c(=O)n(C)c(=O)n2C

HCID25115067

未命名化合物

PROCEDURE

实验过程

The synthesis of title compounds started from Compound 70a and 1-(benzyloxy)-3-(bromomethyl)benzene, according to procedures described in the synthesis of Compound 70. 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 3.25 (s, 3H) 3.54 (s, 3H) 3.74 (s, 3H) 3.76 (d, J=14.4 Hz, 1H) 3.86 (d, J=14.4 Hz, 1H) 4.73 (q, J=15.2 Hz, 2H) 5.06 (s, 1H) 6.72-6.77 (dd, J=3.1, 16.6 Hz 1H) 6.88 (d, J=8.3 Hz 1H) 7.00-7.07 (m, 3H) 7.11-7.19 (m, 1H) 7.25 (t, J=7.8 Hz, 1H) 7.29-7.33 (m, 1H) 7.33-7.44 (m, 5H). MS [m+H] calc'd C31H31FN5O4 556; found 556.

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-9118228874534b5988198aec9bcaca95
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.[CH2:27]([O:34][C:35]1[CH:40]=[CH:39][CH:38]=[C:37]([CH2:41]Br)[CH:36]=1)[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=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][CH2:41][C:37]2[CH:38]=[CH:39][CH:40]=[C:35]([O:34][CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[CH:36]=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]