HRID819665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID53404039

3-Nitro-5-(trifluoromethyl)benzaldehyde

C8H4F3NO3

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN

HCID59135127

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

HCID59343863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9db83bef1f24cbabe34cd9bc9db163f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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