HRID690647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID75653

Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester

C10H12O4

HCID14501706

2-{[3-(Chloromethyl)phenoxy]methyl}quinoline

C17H14ClNO

PRODUCTS

生成物

结构：CCOC(=O)c1c(C)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc1O

HCID22241340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07190b3f296c43119c52450b9ff38eb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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