HRID1560559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)(C)OC(=O)NC1CN(C(=O)OCc2ccccc2)CC1CO

HCID18465918

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCC2CN(C(=O)OCc3ccccc3)CC2NC(=O)OC(C)(C)C)cc1

HCID178427694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64dda0a5a5a54801865e78f794f6022b
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

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