HRID203161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID313

Hydrochloric Acid

ClH

HCID5054

Resorcinol

C6H6O2

HCID7237

o-Xylene

C8H10

HCID8900

Heptane

C7H16

HCID104727

Aluminum Cation

Al+3

结构：Cc1ccc(-c2nc(Oc3ccccc3)nc(-c3ccc(C)cc3C)n2)c(C)c1

HCID10894225

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(O)cc3O)n2)c(C)c1

HCID74276

4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1,3-benzenediol

C25H23N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ec5cac3fcc441fcaa8e5461e2aa0171
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Al+3:39].[CH3:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([O:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[n:12][c:13](-[c:15]3[c:16]([CH3:22])[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[n:14]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Cl-:38].[Cl-:40].[Cl-:41].[ClH:42].[OH:30][c:31]1[cH:32][cH:33][cH:34][c:35]([OH:36])[cH:37]1.[c:50]1([CH3:51])[c:52]([CH3:53])[cH:54][cH:55][cH:56][cH:57]1>>[CH3:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:34]3[cH:33][cH:32][c:31]([OH:30])[cH:37][c:35]3[OH:36])[n:12][c:13](-[c:15]3[c:16]([CH3:22])[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[n:14]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1