HRID2128087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID933

未命名化合物

HCID962

Water

H2O

结构：CCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1C=O

HCID86626848

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1C=NO

HCID86626849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c8d2cba8b3c40278793cf84f341c17e
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

[CH3:35][C:36](=[O:37])[O-:38].[CH3:40][CH2:41][OH:42].[Cl-:31].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[CH2:20][CH3:21])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30].[Na+:34].[OH2:39].[OH:32][NH3+:33]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[c:9]([CH:10]=[N:33][OH:32])[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[CH2:20][CH3:21])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30]