HRID1225667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2736978

2,3-Difluoro-4-hydroxybenzonitrile

C7H3F2NO

HCID19103694

4-Octylcyclohexane-1-carbonyl chloride

C15H27ClO

PRODUCTS

生成物

结构：CCCCCCCCC1CCC(C(=O)Oc2ccc(C#N)c(F)c2F)CC1

HCID19103577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bad9b20d7ed94025963c04d39b878f84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([C:15](=[O:16])[Cl:17])[CH2:13][CH2:14]1.[CH2:48]([Cl:49])[Cl:50].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:18][C:19]([C:20]([Cl:21])=[O:22])=[O:23].[F:24][c:25]1[c:26]([OH:34])[cH:27][cH:28][c:29]([C:32]#[N:33])[c:30]1[F:31].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([C:15](=[O:16])[O:34][c:26]2[c:25]([F:24])[c:30]([F:31])[c:29]([C:32]#[N:33])[cH:28][cH:27]2)[CH2:13][CH2:14]1