HRID667370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8148

N-Butyl-1-butanamine

C8H19N

HCID24309

2-Ethylhexyl thioglycolate

C10H20O2S

HCID31405

2,6-Di-tert-butylphenol

C14H22O

PRODUCTS

生成物

结构：CCCCC(CC)COC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID93464

Acetic acid, 2-[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]thio]-, 2-ethylhexyl ester

C25H42O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12335c2d63444253b9484da70061686d
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:8][cH:9][cH:10]1.[CH2:16]([CH3:17])[CH:18]([CH2:19][O:20][C:21]([CH2:22][SH:23])=[O:24])[CH2:25][CH2:26][CH2:27][CH3:28].[CH2:29]([NH:30][CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:8][c:9]([CH2:29][S:23][CH2:22][C:21]([O:20][CH2:19][CH:18]([CH2:16][CH3:17])[CH2:25][CH2:26][CH2:27][CH3:28])=[O:24])[cH:10]1