HRID667576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1

HCID76013

2,4-Bis(1-methyl-1-phenylethyl)phenol

C24H26O

HCID110493

Benzenediazonium, 2-nitro-

C6H4N3O2+

PRODUCTS

生成物

结构：CC(C)(c1ccccc1)c1cc(N=Nc2ccccc2[N+](=O)[O-])c(O)c(C(C)(C)c2ccccc2)c1

HCID116810

2,4-Bis(1-methyl-1-phenylethyl)-6-((2-nitrophenyl)azo)phenol

C30H29N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ac08564ccfb443fa19a97bc41d0082f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:3][C:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)([CH3:11])[c:12]1[c:13]([OH:27])[cH:14][cH:15][c:16]([C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([CH3:25])[CH3:26])[cH:17]1.[CH3:41][OH:42].[CH3:43][C:44](=[O:45])[OH:46].[Cl-:28].[ClH:40].[K+:2].[N+:29](=[O:30])([O-:31])[c:32]1[c:33]([N+:38]#[N:39])[cH:34][cH:35][cH:36][cH:37]1.[OH-:1].[OH2:47]>>[CH3:3][C:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)([CH3:11])[c:12]1[c:13]([OH:27])[c:14]([N:39]=[N:38][c:33]2[c:32]([N+:29](=[O:30])[O-:31])[cH:37][cH:36][cH:35][cH:34]2)[cH:15][c:16]([C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([CH3:25])[CH3:26])[cH:17]1