HRID1550569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID313

Hydrochloric Acid

ClH

HCID3610

4-Hexylresorcinol

C12H18O2

HCID7237

o-Xylene

C8H10

结构：Cc1ccc(-c2nc(Cl)nc(-c3ccc(C)cc3)n2)cc1

HCID30851

2-chloro-4,6-bis(4-methylphenyl)-1,3,5-triazine

C17H14ClN3

HCID104727

Aluminum Cation

Al+3

PRODUCTS

生成物

结构：CCCCCCc1cc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)c(O)cc1O

HCID135843598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-887454245b67469bbe08b3aa09b8a236
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

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