HRID1515554

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：COC(=O)Nc1ccc(S(=O)(=O)C2CC2)c([C@H]2CCCN2)c1.Cl

HCID86645212

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Nc1ccc(S(=O)(=O)C2CC2)c([C@H]2CCCN2C(=O)[C@H](Nc2cc(C(N)=O)ccc2F)c2ccc(F)c(OC)c2)c1

HCID24880695

未命名化合物

PROCEDURE

实验过程

Example 87 was prepared according to the general coupling condition using 27A and 85J. 1H NMR (400 MHz, Methanol-d4) δ ppm 1.00-1.08 (m, 2H) 1.13 (m, 1H) 1.36-1.43 (m, 1H) 1.73 (m, 1H) 2.02-2.14 (m, 2H) 2.52 (m, 1H) 3.22-3.29 (m, 1H) 3.71 (s, 6H) 4.16 (ddd, J=10.22, 6.81, 6.70 Hz, 1H) 5.46 (s, 1H) 5.88 (dd, J=7.91, 5.27 Hz, 1H) 6.98-7.06 (m, 4H) 7.08-7.15 (m, 3H) 7.32 (dd, J=8.35, 1.76 Hz, 1H) 7.68 (d, J=9.23 Hz, 1H) 9.44 (s, 1H), LC-MS 643 (M+H).

WORKUP

后处理

customExample 87 was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f9180e9d7b34dcda99f13ac44dfbb2b
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:42])[O:40][CH3:41])=[CH:34][C:33]=2[C@H:43]2[CH2:47][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][CH2:47][C@@H:43]2[C:33]2[CH:34]=[C:35]([NH:38][C:39](=[O:42])[O:40][CH3:41])[CH:36]=[CH:37][C:32]=2[S:29]([CH:26]2[CH2:27][CH2:28]2)(=[O:31])=[O:30])=[O:14])[CH:9]=1)(=[O:3])[NH2:2]