HRID1515531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(C(Nc2cccc(C(N)=O)c2)C(=O)O)cc1OC

HCID59838034

未命名化合物

结构：CC(C)S(=O)(=O)c1ccc(NC(=O)N(C)C)cc1[C@H]1CCCN1.Cl

HCID68439178

未命名化合物

PRODUCTS

生成物

结构：COc1ccc([C@@H](Nc2cccc(C(N)=O)c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)N(C)C)ccc2S(=O)(=O)C(C)C)cc1OC

HCID59479477

未命名化合物

PROCEDURE

实验过程

Example 56 was prepared according to the general coupling condition using 1A and 31A. 1H NMR (400 MHz, Methanol-d4) δ ppm 1.17 (d, J=6.60 Hz, 3 H) 1.42 (d, J=7.15 Hz, 3H) 1.73 (dd, J=12.64, 5.50 Hz, 1H) 1.91-2.21 (m, 2H) 2.47 (dd, J=13.19, 7.70 Hz, 1H) 2.97 (s, 6H) 3.61 (s, 3H) 3.63-3.74 (m, 1H) 3.80-3.85 (m, 3H) 3.87-3.99 (m, 1H) 4.03-4.16 (m, 1H) 5.37 (s, 1H) 5.66 (dd, J=8.25, 4.95 Hz, 1H) 6.79 (s, 1H) 6.83-6.96 (m, 3H) 7.02 (d, J=8.25 Hz, 1H) 7.17-7.28 (m, 3H) 7.39 (dd, J=8.79, 2.20 Hz, 1H) 7.72 (d, J=8.79 Hz, 1H), LC-MS 652 (M+H).

WORKUP

后处理

customExample 56 was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8deb8b8716e94fde9fac3a5e1af4c1b8
来源数据集: uspto-grants-2012_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08222453B2
来源说明: uspto-grants-2012_07

反应 SMILES

[C:1]([C:4]1[CH:5]=[C:6]([NH:10][CH:11]([C:15]2[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[C:17]([O:23][CH3:24])[CH:16]=2)[C:12](O)=[O:13])[CH:7]=[CH:8][CH:9]=1)(=[O:3])[NH2:2].Cl.[CH:26]([S:29]([C:32]1[CH:37]=[CH:36][C:35]([NH:38][C:39](=[O:43])[N:40]([CH3:42])[CH3:41])=[CH:34][C:33]=1[C@H:44]1[CH2:48][CH2:47][CH2:46][NH:45]1)(=[O:31])=[O:30])([CH3:28])[CH3:27]>>[CH3:24][O:23][C:17]1[CH:16]=[C:15]([C@@H:11]([NH:10][C:6]2[CH:5]=[C:4]([CH:9]=[CH:8][CH:7]=2)[C:1]([NH2:2])=[O:3])[C:12]([N:45]2[CH2:46][CH2:47][CH2:48][C@@H:44]2[C:33]2[CH:34]=[C:35]([NH:38][C:39]([N:40]([CH3:42])[CH3:41])=[O:43])[CH:36]=[CH:37][C:32]=2[S:29]([CH:26]([CH3:28])[CH3:27])(=[O:31])=[O:30])=[O:13])[CH:20]=[CH:19][C:18]=1[O:21][CH3:22]