HRID284148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6358

2-Bromopropane

C3H7Br

HCID16028

Tetrabutylammonium

C16H36N+

HCID93939

Methanone, (2-hydroxy-5-nonylphenyl)phenyl-

C22H28O2

HCID20161991

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCc1ccc(OC(C)C)c(C(=O)c2ccccc2)c1

HCID20161976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63ab0d2da32744e58fd6c4baa2a969a4
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-:60].[CH2:61]([N+:62]([CH2:63][CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH3:74])[CH2:75][CH2:76][CH3:77].[CH3:31][O:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[cH:46][c:47]1[C:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)=[O:55].[CH:27]([CH3:28])([CH3:29])[Br:30].[Cl:56][CH2:57][Cl:58].[Na+:26].[OH-:25].[OH2:59].[OH:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:14][cH:15]1>>[O:1]([c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:14][cH:15]1)[CH:27]([CH3:28])[CH3:29]