HRID630531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F

HCID2733207

O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate

C11H16BF4N5O

HCID7446913

(R)-PYRROLIDIN-3-YLMETHANOL

C5H11NO

结构：CSc1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)O)ccc12

HCID118666170

未命名化合物

PRODUCTS

生成物

结构：CS(=O)c1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CC[C@@H](CO)C3)ccc12

HCID118666103

未命名化合物

PROCEDURE

实验过程

Prepared from 1-(5-(2-fluorophenyl)pyrimidin-2-yl)-3-(methylthio)-1H-indole-6-carboxylic acid in two reaction steps comprising a TBTU mediated amide coupling with (R)-pyrrolidin-3-ylmethanol (see also procedure 244c) and an oxidation utilizing m-chloroperoxybenzoic acid as oxidizing agent. Yellow solid. Yield: 0.12 g

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ecff4b297a045dfa1e62eb956b6681d
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

[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:9]=[N:10][C:11]([N:14]2[C:22]3[C:17](=[CH:18][CH:19]=[C:20]([C:23](O)=[O:24])[CH:21]=3)[C:16]([S:26][CH3:27])=[CH:15]2)=[N:12][CH:13]=1.CN(C([O:35]N1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.[NH:50]1[CH2:54][CH2:53][C@@H:52]([CH2:55][OH:56])[CH2:51]1.ClC1C=C(C=CC=1)C(OO)=O>>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:9]=[N:10][C:11]([N:14]2[C:22]3[C:17](=[CH:18][CH:19]=[C:20]([C:23]([N:50]4[CH2:54][CH2:53][C@@H:52]([CH2:55][OH:56])[CH2:51]4)=[O:24])[CH:21]=3)[C:16]([S:26]([CH3:27])=[O:35])=[CH:15]2)=[N:12][CH:13]=1