HRID871664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)c1

HCID66876494

未命名化合物

HCID66876764

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)c3)c2cc1OC

HCID44243263

未命名化合物

收率 88.9%

PROCEDURE

实验过程

The title compound was prepared from 3-(6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)aniline (94 mg, 0.27 mmol) and phenyl 3-tert-butyl-1-m-tolyl-1H-pyrazol-5-ylcarbamate (115 mg, 0.33 mmol) using the procedure in Example 115C to give the title compound (145 mg, 0.24 mmol, 88%). 1H NMR (300 MHz, DMSO-d6) δ 9.25 (s, 1H), 8.67 (s, 1H), 8.45 (s, 1H), 7.81 (s, 1H), 7.48-7.21 (m, 9H), 6.37 (s, 1H), 4.32 (t, 2H), 3.99 (s, 3H), 3.76 (t, 2H), 3.36 (s, 3H), 2.38 (s, 3H), 1.27 (s, 9H); LC-MS (ESI) m/z 613 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90de06b246a147628c63e3af3ff22af1
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08969587B2
来源说明: uspto-grants-2015_03

反应 SMILES

[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH2:14][CH2:15][O:16][CH3:17])[N:9]=[CH:8][N:7]=[C:6]2[S:18][C:19]1[CH:20]=[C:21]([CH:23]=[CH:24][CH:25]=1)[NH2:22].[C:26]([C:30]1[CH:34]=[C:33]([NH:35][C:36](=O)[O:37]C2C=CC=CC=2)[N:32]([C:45]2[CH:46]=[C:47]([CH3:51])[CH:48]=[CH:49][CH:50]=2)[N:31]=1)([CH3:29])([CH3:28])[CH3:27]>>[C:26]([C:30]1[CH:34]=[C:33]([NH:35][C:36]([NH:22][C:21]2[CH:23]=[CH:24][CH:25]=[C:19]([S:18][C:6]3[C:5]4[C:10](=[CH:11][C:12]([O:13][CH2:14][CH2:15][O:16][CH3:17])=[C:3]([O:2][CH3:1])[CH:4]=4)[N:9]=[CH:8][N:7]=3)[CH:20]=2)=[O:37])[N:32]([C:45]2[CH:46]=[C:47]([CH3:51])[CH:48]=[CH:49][CH:50]=2)[N:31]=1)([CH3:29])([CH3:28])[CH3:27]