HRID2159032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID4133

Methyl salicylate

C8H8O3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID14501706

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

C17H14ClNO

PRODUCTS

生成物

结构：COC(=O)c1ccccc1OCc1cccc(OCc2ccc3ccccc3n2)c1

HCID22241562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc74a3b08b164a73b6375f0026effd54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:22](=[O:23])([OH:24])[O-:25].[C:27]([c:28]1[c:29]([OH:30])[cH:31][cH:32][cH:33][cH:34]1)(=[O:35])[O:36][CH3:37].[CH2:53]([O:54][CH2:55][CH3:56])[CH3:57].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl-:40].[Cl:2][CH2:3][c:4]1[cH:5][c:6]([O:7][CH2:8][c:9]2[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[cH:17][cH:18]2)[cH:19][cH:20][cH:21]1.[ClH:1].[H-:38].[NH4+:41].[Na+:26].[Na+:39].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[CH2:3]([c:4]1[cH:5][c:6]([O:7][CH2:8][c:9]2[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[cH:17][cH:18]2)[cH:19][cH:20][cH:21]1)[O:30][c:29]1[c:28]([C:27](=[O:35])[O:36][CH3:37])[cH:34][cH:33][cH:32][cH:31]1