HRID1150933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID813

Potassium cation

K+

2 次

HCID6405

2-Methyl-2-butanol

C5H12O

HCID8182

Dodecane

C12H26

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID87931

o-Iodocumene

C9H11I

HCID96003

Benzenethiol, 2-(1-methylethyl)-

C9H12S

PRODUCTS

生成物

HCID11402991

Di(2-isopropylphenyl) sulfide

C18H22S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e94ad062462494e860ea96dbb133f94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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