HRID802774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12313

3-Chloro-1-propanol

C3H7ClO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(O)cc1

HCID11473234

(2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone

C19H17NO5

PRODUCTS

生成物

结构：CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OCCCO)cc1

HCID56649773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac6826e734dc4b1e90b875a0f681f6a8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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