HRID162779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID30165

Iodide ion

I-

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

HCID74828

6-Chlorohexan-1-ol

C6H13ClO

PRODUCTS

生成物

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

HCID136084001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28859ac317884acba626e3cee0efd80c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:44]([C:45]([CH3:46])=[O:47])[CH:48]([CH3:49])[CH3:50].[CH3:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:23]3[c:24]([OH:30])[cH:25][c:26]([OH:29])[cH:27][cH:28]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.[Cl:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][OH:38].[ClH:43].[I-:40].[K+:39].[Na+:42].[OH-:41].[OH2:51]>>[CH3:1][c:2]1[c:3](-[c:9]2[n:10][c:11](-[c:23]3[c:24]([OH:30])[cH:25][c:26]([O:29][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][OH:38])[cH:27][cH:28]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