HRID1571624

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

HCID19660

Carbonate

CO3-2

HCID2733548

Bis(pinacolato)diboron

C12H24B2O4

HCID13058739

未命名化合物

HCID85983244

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CC1CCCC1)c1ccc(SCc2cccnc2)cc1

HCID67084417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-888f4767abc246f58b0437b5a81f8ef7
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:24][c:25]1[cH:26][cH:27][c:28]([S:31][CH2:32][c:33]2[cH:34][n:35][cH:36][cH:37][cH:38]2)[cH:29][cH:30]1.[CH2:39]([CH3:40])[O:41][C:42]([C:43](=[CH:44][CH:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1)[Br:50])=[O:51].[CH3:2][C:3](=[O:4])[O-:5].[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+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[c:25]1([C:43]([C:42]([O:41][CH2:39][CH3:40])=[O:51])=[CH:44][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49]2)[cH:26][cH:27][c:28]([S:31][CH2:32][c:33]2[cH:34][n:35][cH:36][cH:37][cH:38]2)[cH:29][cH:30]1