HRID935634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID85570

Tosylate

C7H7O3S-

HCID10953836

2-(benzofuran-3-yl)ethanol

C10H10O2

HCID58975488

6-Fluoro-8-(piperazin-1-yl)quinoline

C13H14FN3

PRODUCTS

生成物

结构：Fc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1

HCID11383270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b710a4158e3845c19e4bd82e6cf61729
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:67][S:68]([CH3:69])=[O:70].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[F:35][c:36]1[cH:37][c:38]2[cH:39][cH:40][cH:41][n:42][c:43]2[c:44]([N:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[cH:45]1.[O-:24][S:25]([c:26]1[cH:27][cH:28][c:29]([CH3:30])[cH:31][cH:32]1)(=[O:33])=[O:34].[c:13]1([CH3:14])[cH:15][cH:16][c:17]([S:18]([Cl:19])(=[O:20])=[O:21])[cH:22][cH:23]1.[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1.[o:1]1[cH:2][c:3]([CH2:10][CH2:11][OH:12])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[cH:2][c:3]([CH2:10][CH2:11][N:49]2[CH2:48][CH2:47][N:46]([c:44]3[c:43]4[c:38]([cH:37][c:36]([F:35])[cH:45]3)[cH:39][cH:40][cH:41][n:42]4)[CH2:51][CH2:50]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2