HRID942845

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-

HCID11830786

未命名化合物

HCID23614443

未命名化合物

PRODUCTS

生成物

结构：Clc1ccc2c(CCN3CCN(c4cccc5cccnc45)CC3)coc2c1

HCID11452142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fe85fd602a04448abb129c46b4da98d
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].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH2:9][CH2:10][OH:11])[cH:7][o:8]2)[cH:12][cH:13]1.[N:36]1([c:42]2[cH:43][cH:44][cH:45][c:46]3[cH:47][cH:48][cH:49][n:50][c:51]23)[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[O-:25][S:26]([c:27]1[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]1)(=[O:34])=[O:35].[c:14]1([CH3:15])[cH:16][cH:17][c:18]([S:19]([Cl:20])(=[O:21])=[O:22])[cH:23][cH:24]1.[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH2:9][CH2:10][N:39]3[CH2:38][CH2:37][N:36]([c:42]4[cH:43][cH:44][cH:45][c:46]5[cH:47][cH:48][cH:49][n:50][c:51]45)[CH2:41][CH2:40]3)[cH:7][o:8]2)[cH:12][cH:13]1