HRID1515545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc(C(Nc2cc(C(N)=O)ccc2F)C(=O)O)ccc1F

HCID59479450

未命名化合物

结构：CCOC(=O)[C@H]1CCN[C@H]1c1cc(NC(=O)N(C)C)ccc1S(=O)(=O)C1CC1.Cl

HCID86645210

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)[C@H]1CCN(C(=O)[C@H](Nc2cc(C(N)=O)ccc2F)c2ccc(F)c(OC)c2)[C@H]1c1cc(NC(=O)N(C)C)ccc1S(=O)(=O)C1CC1

HCID24880759

未命名化合物

PROCEDURE

实验过程

Example 80 was prepared according to the general coupling condition using 27A and 76O. 1H NMR (400 MHz, Methanol-d4) δ ppm 0.84 (t, J=7.20 Hz, 3H) 0.95-1.17 (m, 3H) 1.33-1.47 (m, 1H) 2.20-2.35 (m, 1H) 2.41 (d, J=6.82 Hz, 1H) 2.91-3.06 (m, 6H) 3.16-3.27 (m, 1H) 3.50-3.64 (m, 2H) 3.69 (s, 3H) 3.71-3.79 (m, 1H) 3.81-3.97 (m, 1H) 4.13-4.28 (m, 1H) 5.46 (s, 1H) 6.26 (d, J=8.34 Hz, 1H) 6.66 (d, J=2.27 Hz, 1H) 6.90-7.09 (m, 4H) 7.10-7.17 (m, 1H) 7.30 (dd, J=8.34, 2.02 Hz, 1H) 7.38-7.45 (m, 1H) 7.66 (d, J=8.84 Hz, 1H), LC-MS 728 (M+H).

WORKUP

后处理

customExample 80 was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e9092bfc6e246de922bc9d2007c549e
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]=[CH:6][C:7]([F:24])=[C:8]([NH:10][CH:11]([C:15]2[CH:20]=[CH:19][C:18]([F:21])=[C:17]([O:22][CH3:23])[CH:16]=2)[C:12]([OH:14])=O)[CH:9]=1)(=[O:3])[NH2:2].Cl.[CH:26]1([S:29]([C:32]2[CH:37]=[CH:36][C:35]([NH:38][C:39]([N:41]([CH3:43])[CH3:42])=[O:40])=[CH:34][C:33]=2[C@H:44]2[C@@H:48]([C:49]([O:51][CH2:52][CH3:53])=[O:50])[CH2:47][CH2:46][NH:45]2)(=[O:31])=[O:30])[CH2:28][CH2:27]1>>[C:1]([C:4]1[CH:5]=[CH:6][C:7]([F:24])=[C:8]([NH:10][C@H:11]([C:15]2[CH:20]=[CH:19][C:18]([F:21])=[C:17]([O:22][CH3:23])[CH:16]=2)[C:12]([N:45]2[CH2:46][CH2:47][C@H:48]([C:49]([O:51][CH2:52][CH3:53])=[O:50])[C@@H:44]2[C:33]2[CH:34]=[C:35]([NH:38][C:39]([N:41]([CH3:43])[CH3:42])=[O:40])[CH:36]=[CH:37][C:32]=2[S:29]([CH:26]2[CH2:28][CH2:27]2)(=[O:31])=[O:30])=[O:14])[CH:9]=1)(=[O:3])[NH2:2]