HRID85811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID20132751

Methyl azetidine-3-carboxylate

C5H9NO2

HCID86659008

5-{5-[2-Ethyl-3-(2-oxoethyl)phenyl]-1,3-thiazol-2-yl}-2-[(1-methylethyl)oxy]benzonitrile

C23H22N2O2S

PRODUCTS

产物

HCID66981971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e7043296e778458faab14980986460c6
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

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