HRID952078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CN1C(=O)N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(CO)O4)nc21

HCID10345790

PharmaGSID_48519

C22H20BrN5O4

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCC2COc3cc(Nc4ncc5c(n4)N(C)C(=O)N(c4ccccc4Br)C5)ccc3O2)cc1

HCID86592159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7efddf27ce924c1384bbe6f1855fec16
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

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