HRID694098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

结构：CC(C)(C)c1cc(CC2SCNC2=O)cc(C(C)(C)C)c1O

HCID68745

Tazofelone

C18H27NO2S

HCID73219

3,5-Di-tert-butyl-4-hydroxybenzaldehyde

C15H22O2

HCID1201546

Rhodanine

C3H3NOS2

结构：CC(C)(C)c1cc(C=C2SC(=S)NC2=O)cc(C(C)(C)C)c1O

HCID3071511

5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinone

C18H23NO2S2

PRODUCTS

生成物

HCID9968356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53e6bd6a115a426f9fe5c098f0dff903
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:31]([c:32]1[cH:33][c:34]([CH:43]=[O:44])[cH:35][c:36]([C:37]([CH3:38])([CH3:39])[CH3:40])[c:41]1[OH:42])([CH3:45])([CH3:46])[CH3:47].[CH3:48][C:49]([c:50]1[cH:51][c:52]([CH2:53][CH:54]2[S:55][CH2:56][NH:57][C:58]2=[O:59])[cH:60][c:61]([C:62]([CH3:63])([CH3:64])[CH3:65])[c:66]1[OH:67])([CH3:68])[CH3:69].[CH3:70][C:71](=[O:72])[OH:73].[CH3:75][C:76](=[O:77])[O-:78].[CH3:8][C:9]([CH3:10])([CH3:11])[c:12]1[cH:13][c:14]([CH:23]=[C:24]2[C:25](=[O:30])[NH:26][C:27](=[S:29])[S:28]2)[cH:15][c:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[c:17]1[OH:18].[Na+:74].[S:1]1[CH2:2][C:3](=[O:4])[NH:5][C:6]1=[S:7]>>[CH3:8][C:9]([CH3:10])([CH3:11])[c:12]1[cH:13][c:14]([CH2:23][CH:24]2[C:25](=[O:30])[NH:26][C:27](=[S:29])[S:28]2)[cH:15][c:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[c:17]1[OH:18]