HRID2349698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID118803

3-(1,1,2,2-Tetrafluoroethoxy)-benzaldehyde

C9H6F4O2

HCID11021230

3-(4chloro-3-ethylphenoxy)aniline

C14H14ClNO

PRODUCTS

生成物

结构：CCc1cc(Oc2cccc(NCc3cccc(OC(F)(F)C(F)F)c3)c2)ccc1Cl

HCID10928519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a9dd198532f4338b8fc9fc1c1265c81
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

[CH3:33][C:34](=[O:35])[OH:36].[Cl:1][c:2]1[c:3]([CH2:16][CH3:17])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:10])[cH:11][cH:12][cH:13]2)[cH:14][cH:15]1.[Cl:40][CH:41]([Cl:42])[CH3:43].[ClH:37].[F:18][C:19]([CH:20]([F:21])[F:22])([O:23][c:24]1[cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30][cH:31]1)[F:32].[Na+:39].[OH-:38]>>[Cl:1][c:2]1[c:3]([CH2:16][CH3:17])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:10][CH2:27][c:26]3[cH:25][c:24]([O:23][C:19]([F:18])([CH:20]([F:21])[F:22])[F:32])[cH:31][cH:30][cH:29]3)[cH:11][cH:12][cH:13]2)[cH:14][cH:15]1