HRID1569577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID61408842

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)OC(C)(C)C)c(C)c1

HCID68643972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4661a40b3974ea48a8fb02666074b2c
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

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