HRID100369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1049

Pyridine

C5H5N

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID21939722

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)Nc2ccc(COc3ccc4c(c3)CCC(CN(C)C)C4)cc2)cc1

HCID21063038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-856abb3cdb064744a66700cca4dda364
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[O-:44].[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:6][O:7][c:8]1[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[Cl:17])[cH:12][cH:13]1.[K+:45].[K+:46].[NH2:18][c:19]1[cH:20][cH:21][c:22]([CH2:23][O:24][c:25]2[cH:26][c:27]3[c:32]([cH:33][cH:34]2)[CH2:31][CH:30]([CH2:35][N:36]([CH3:37])[CH3:38])[CH2:29][CH2:28]3)[cH:39][cH:40]1.[cH:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1>>[CH3:6][O:7][c:8]1[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[NH:18][c:19]2[cH:20][cH:21][c:22]([CH2:23][O:24][c:25]3[cH:26][c:27]4[c:32]([cH:33][cH:34]3)[CH2:31][CH:30]([CH2:35][N:36]([CH3:37])[CH3:38])[CH2:29][CH2:28]4)[cH:39][cH:40]2)[cH:12][cH:13]1