HRID2340187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

3 次

HCID1140

Toluene

C7H8

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID98969

Ethyl nipecotate

C8H15NO2

HCID53675610

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C1CCCN(CCOCC=C(c2cccc(OC)c2)c2ccccc2C)C1

HCID54033475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29f8ab9b7fce450fae1a8e848cf5ac8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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