HRID630490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)C(On1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F

HCID9886157

Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)

C10H15F6N6OP

HCID13432442

2-Methyl-1-(methylamino)propan-2-ol

C5H13NO

结构：CS(=O)c1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)O)ccc12

HCID118666089

未命名化合物

PRODUCTS

生成物

结构：CN(CC(C)(C)O)C(=O)c1ccc2c(S(C)=O)cn(-c3ncc(-c4ccccc4F)cn3)c2c1

HCID118666222

未命名化合物

PROCEDURE

实验过程

HATU coupling of 1-(5-(2-fluorophenyl)pyrimidin-2-yl)-3-(methylsulfinyl)-1H-indole-6-carboxylic acid with 2-methyl-1-(methylamino)propan-2-ol. White solid. Yield: 110 mg

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab85c69a21824ecdb2cde5b8d66f18e5
来源数据集: uspto-grants-2016_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09315490B2
来源说明: uspto-grants-2016_04

反应 SMILES

CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[F:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1[C:32]1[CH:33]=[N:34][C:35]([N:38]2[C:46]3[C:41](=[CH:42][CH:43]=[C:44]([C:47](O)=[O:48])[CH:45]=3)[C:40]([S:50]([CH3:52])=[O:51])=[CH:39]2)=[N:36][CH:37]=1.[CH3:53][C:54]([OH:59])([CH3:58])[CH2:55][NH:56][CH3:57]>>[F:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1[C:32]1[CH:33]=[N:34][C:35]([N:38]2[C:46]3[C:41](=[CH:42][CH:43]=[C:44]([C:47]([N:56]([CH2:55][C:54]([OH:59])([CH3:58])[CH3:53])[CH3:57])=[O:48])[CH:45]=3)[C:40]([S:50]([CH3:52])=[O:51])=[CH:39]2)=[N:36][CH:37]=1