HRID872153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCn1ccc(Nc2cc(-c3cccc(N4Cc5cc(C(C)(C)C)ccc5C4=O)c3CO)nn(C)c2=O)n1

HCID56929058

未命名化合物

HCID66610237

未命名化合物

结构：CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1Cc2cc(C(C)(C)C)ccc2C1=O

HCID86697936

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(-c2cccc(N3Cc4cc(C(C)(C)C)ccc4C3=O)c2CO)cc(Nc2ccncn2)c1=O

HCID56929142

未命名化合物

收率 49%

PROCEDURE

实验过程

Using the same general procedure as described for the preparation of 102, reaction of 103b (192 mg, 0.810 mmol) with 102f (413 mg, 0.891 mmol) afforded 103 in 49% yield (196 mg) as an amorphous off-white solid: mp 236-238° C.; 1H NMR (500 MHz, DMSO-d6) δ 9.87 (s, 1H), 8.81 (s, 1H), 8.68 (s, 1H), 8.49 (d, J=6.0 Hz, 1H), 7.73 (d, J=8.0 Hz, 2H), 7.62 (dd, J=8.0, 1.5 Hz, 1H), 7.55-7.53 (m, 3H), 7.52-7.47 (m, 1H), 4.93 (s, 2H), 4.73 (t, J=5.0 Hz, 1H), 4.42 (d, J=5.5 Hz, 2H), 3.80 (s, 3H), 1.36 (s, 9H); MS (ESI+) m/z 497.2 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaacdb7b4420428c8b7ea176c38584d3
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08975260B2
来源说明: uspto-grants-2015_03

反应 SMILES

[C:1]([C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[C:10](=[O:14])[N:9]([C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([C:21]3[CH:26]=[C:25]([NH:27][C:28]4[CH:32]=[CH:31][N:30]([CH2:33]C)[N:29]=4)[C:24](=[O:35])[N:23]([CH3:36])[N:22]=3)[C:16]=1[CH2:37][OH:38])[CH2:8]2)([CH3:4])([CH3:3])[CH3:2].ClC1C=C(NC2C=CN=CN=2)C(=O)N(C)N=1.C(OCC1C(B2OC(C)(C)C(C)(C)O2)=CC=CC=1N1CC2C(=CC=C(C(C)(C)C)C=2)C1=O)(=O)C>>[C:1]([C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[C:10](=[O:14])[N:9]([C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([C:21]3[CH:26]=[C:25]([NH:27][C:28]4[CH:32]=[CH:31][N:30]=[CH:33][N:29]=4)[C:24](=[O:35])[N:23]([CH3:36])[N:22]=3)[C:16]=1[CH2:37][OH:38])[CH2:8]2)([CH3:3])([CH3:4])[CH3:2]