HRID1121395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

结构：CC(=O)Oc1c(C)c(C)c2c(c1C)C(=O)CC(C)(COc1ccc([N+](=O)[O-])cc1)O2

HCID11350483

2,5,7,8-TETRAMETHYL-2-(4-NITROPHENOXYMETHYL)-4-OXOCHROMAN-6-YL ACETATE

C22H23NO7

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1OCC(=O)OC(C)(C)C)C(=O)CC(C)(COc1ccc([N+](=O)[O-])cc1)O2

HCID19822271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0237d1be46784f2897e7dce9050b71fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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