HRID2133130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID12530

Tridecanoic acid

C13H26O2

HCID87288

Tridecanoyl chloride

C13H25ClO

HCID13070719

Ethyl 1H-pyrrole-3-carboxylate

C7H9NO2

PRODUCTS

生成物

结构：CCCCCCCCCCCCC(=O)c1cc(C(=O)OCC)c[nH]1

HCID15023254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba23202db2824a14a68ab92d40b08676
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

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