HRID1555590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)Oc1cc(C(=O)Nc2ccn(C)n2)cc2c1CC(CO)O2

HCID59559844

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCC2Cc3c(OC(C)C)cc(C(=O)Nc4ccn(C)n4)cc3O2)cc1

HCID59560417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02145337b4fe478a9571891d406ba4ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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