HRID319041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2733548

Bis(pinacolato)diboron

C12H24B2O4

HCID12521240

1-Bromo-4-[(propan-2-yl)sulfanyl]benzene

C9H11BrS

HCID73164146

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CC1CCCCC1)c1ccc(SC(C)C)cc1

HCID67084395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-334b97f23f554d83aafbf01e6070782c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:24][c:25]1[cH:26][cH:27][c:28]([S:31][CH:32]([CH3:33])[CH3:34])[cH:29][cH:30]1.[CH2:35]([CH3:36])[O:37][C:38]([C:39](=[CH:40][CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1)[Br:47])=[O:48].[CH3:2][C:3](=[O:4])[O-:5].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH3:6][C:7]1([CH3:8])[C:9]([CH3:10])([CH3:11])[O:12][B:13]([B:14]2[O:15][C:16]([CH3:17])([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22]2)[O:23]1.[K+:1].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[c:25]1([C:39]([C:38]([O:37][CH2:35][CH3:36])=[O:48])=[CH:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[cH:26][cH:27][c:28]([S:31][CH:32]([CH3:33])[CH3:34])[cH:29][cH:30]1