HRID2128458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID6212

Chloroform

CHCl3

HCID19660

Carbonate

CO3-2

HCID124611

Tributylbenzylammonium

C19H34N+

HCID11658557

2-(4-ethylbenzyl)phenol

C15H16O

结构：CC(=O)OCC1SC(Br)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476186

未命名化合物

PRODUCTS

生成物

HCID23077013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d540aced7c54bd9b7db73979d0f40b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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