HRID1569780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID95738

4-Mercaptobenzoate

C7H6O2S

HCID554079

Methyl 10-bromodecanoate

C11H21BrO2

PRODUCTS

生成物

HCID66724630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca57b25e9b37464cbd09bdb3445c0b50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH3:33].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][OH:43].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[Cl-:35].[ClH:34].[Na+:36].[SH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1>>[S:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH3:33]