HRID2159588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID946

Nitrite ion

NO2-

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1032

未命名化合物

HCID1118

Sulfuric acid

H2O4S

HCID6385

tert-Butylamine

C4H11N

HCID7636

2-Ethylhexyl acrylate

C11H20O2

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID15748566

未命名化合物

PRODUCTS

生成物

HCID21630

Octinoxate

C18H26O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5284b5a4a38b40bb91ade02ede014b6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:24]([NH2:25])([CH3:26])([CH3:27])[CH3:28].[C:29]([CH:30]=[CH2:31])(=[O:32])[O:33][CH2:34][CH:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH3:41].[C:44]([O:45][CH:46]([CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH2:52][CH3:53])(=[O:54])[CH:55]=[CH2:56].[CH3:10][CH2:11][C:12](=[O:13])[OH:14].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH2:9])[cH:7][cH:8]1.[N:20]([O-:21])=[O:22].[Na+:23].[Na+:43].[OH-:42].[OH2:57].[S:15](=[O:16])(=[O:17])([OH:18])[OH:19]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:31]=[CH:30][C:29](=[O:32])[O:33][CH2:34][CH:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH3:41])[cH:7][cH:8]1