HRID1140607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID78518

Ethyl 5-chloroindole-2-carboxylate

C11H10ClNO2

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1

HCID22401489

Ethyl 1-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxylate

C17H14ClNO4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b56efc06bd64ef98386ac00a9e3c5c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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