HRID1515546

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)OC)ccc1S(=O)(=O)C1CC1.Cl

HCID86645211

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)OC)ccc1S(=O)(=O)C1CC1

HCID24880757

未命名化合物

PROCEDURE

实验过程

Example 81 was prepared according to the general coupling condition using 27A and 76P. 1H NMR (400 MHz, Methanol-d4) δ ppm 0.92-1.09 (m, 2H) 1.08-1.19 (m, 1H) 1.19-1.28 (m, 3H) 1.33-1.48 (m, 1H) 2.18-2.51 (m, 2H) 2.89 (dd, J=5.31, 2.27 Hz, 1H) 3.03-3.19 (m, 1H) 3.64-3.76 (m, 6H) 3.79-3.96 (m, 1H) 4.00-4.27 (m, 3H) 5.44 (s, 1H) 6.18 (d, J=2.02 Hz, 1H) 6.93-7.22 (m, 7 H) 7.27 (dd, J=8.21, 2.15 Hz, 1H) 7.66-7.75 (m, 1H) 9.48 (s, 1H), LC-MS 715 (M+H).

WORKUP

后处理

customExample 81 was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b7d564887aa4abc8e459d46c28f61f7
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]([O:41][CH3:42])=[O:40])=[CH:34][C:33]=2[C@H:43]2[C@H:47]([C:48]([O:50][CH2:51][CH3:52])=[O:49])[CH2:46][CH2:45][NH:44]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:44]2[CH2:45][CH2:46][C@@H:47]([C:48]([O:50][CH2:51][CH3:52])=[O:49])[C@@H:43]2[C:33]2[CH:34]=[C:35]([NH:38][C:39]([O:41][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]