HRID207822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1118

Sulfuric acid

H2O4S

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID92466

未命名化合物

HCID10924570

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CO)c1ccccc1

HCID22245218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5cfa4b47dfd4176b36010b97b5d3687
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH:16]([C:17](=[O:18])[OH:19])[O:20][CH2:21][CH3:22])[cH:13][cH:14]1.[CH2:56]([Cl:57])[CH2:58][Cl:59].[CH3:41][N:42]([c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1)[CH3:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[ClH:23].[NH2:24][CH:25]([CH2:26][OH:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Na+:40].[OH-:39].[S:34](=[O:35])(=[O:36])([OH:37])[OH:38]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH:16]([C:17](=[O:19])[NH:24][CH:25]([CH2:26][OH:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[O:20][CH2:21][CH3:22])[cH:13][cH:14]1