HRID2202326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc2c(n1)CCN(C(=O)[C@H]1C[C@@H](CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C.O=S(=O)(O)O

HCID178487603

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(n1)CCN(C(=O)[C@H]1C[C@@H](CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C.COc1ccc2c(n1)CCN(C(=O)[C@H]1C[C@@H](CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C.O.O=S(=O)(O)O.O=S(=O)(O)O

HCID178487602

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6569

Methyl ethyl ketone

C4H8O

CONDITIONS

反应条件

温度: 60 °C

PROCEDURE

实验过程

The obtained (cis-3-(((5R)-5-((7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl)-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)carbonyl)cyclobutyl)acetic acid monosulfate (300 mg, 0.49 mmol) was dissolved in MEK (600 μL) while warming at water-bath (60° C.). After changing to an oil, the oil was stood overnight at room temperature. The precipitated white crystals were stood at refrigerator for several weeks to give the title compound.

WORKUP

后处理

waitThe precipitated white crystals were stood at refrigerator for several weeks

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24c99c374aa84380853959d292ac039c
来源数据集: uspto-grants-2016_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09365520B2
来源说明: uspto-grants-2016_06

反应 SMILES

[S:1]([OH:5])([OH:4])(=[O:3])=[O:2].[F:6][C:7]1[CH:8]=[C:9]([NH:18][C:19]([C@@H:21]2[N:30]([C:31]([C@@H:33]3[CH2:36][C@H:35]([CH2:37][C:38]([OH:40])=[O:39])[CH2:34]3)=[O:32])[CH2:29][CH2:28][C:27]3[N:26]=[C:25]([O:41][CH3:42])[CH:24]=[CH:23][C:22]2=3)=[O:20])[CH:10]=[C:11]2[C:15]=1[C:14]([CH3:17])([CH3:16])[CH2:13][CH2:12]2>CCC(C)=O>[OH2:2].[S:1]([OH:5])([OH:4])(=[O:3])=[O:2].[F:6][C:7]1[CH:8]=[C:9]([NH:18][C:19]([C@@H:21]2[N:30]([C:31]([C@@H:33]3[CH2:36][C@H:35]([CH2:37][C:38]([OH:40])=[O:39])[CH2:34]3)=[O:32])[CH2:29][CH2:28][C:27]3[N:26]=[C:25]([O:41][CH3:42])[CH:24]=[CH:23][C:22]2=3)=[O:20])[CH:10]=[C:11]2[C:15]=1[C:14]([CH3:17])([CH3:16])[CH2:13][CH2:12]2.[F:6][C:7]1[CH:8]=[C:9]([NH:18][C:19]([C@@H:21]2[N:30]([C:31]([C@@H:33]3[CH2:36][C@H:35]([CH2:37][C:38]([OH:40])=[O:39])[CH2:34]3)=[O:32])[CH2:29][CH2:28][C:27]3[N:26]=[C:25]([O:41][CH3:42])[CH:24]=[CH:23][C:22]2=3)=[O:20])[CH:10]=[C:11]2[C:15]=1[C:14]([CH3:17])([CH3:16])[CH2:13][CH2:12]2.[S:1]([OH:5])([OH:4])(=[O:3])=[O:2]