HRID139587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

结构：CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

HCID440

CERAPP_28175

C27H44O

HCID813

Potassium cation

K+

HCID28557

18-Crown-6

C12H24O6

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID440

CERAPP_28175

C27H44O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID28557

18-Crown-6

C12H24O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d687390cec0424a8f7658d34f90f799
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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