HRID86178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID61778

Bisulfate anion

HO4S-

HCID76546

2-(chloromethyl)-6-methylpyridine

C7H8ClN

HCID14727318

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(c1ccc(Cl)cc1)c1ccc(OCc2cccc(C)n2)cc1

HCID3022025

1-(4-Chlorophenyl)-1-{4-[(6-methylpyridin-2-yl)methoxy]phenyl}propan-1-ol

C22H22ClNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-972f6bccd2784fafb37f87b15df2694b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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