HRID2347486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

结构：CCOC(=O)c1ccc(N(C)c2ccc3c(c2)C(C)(C)CC=C3C)cc1

HCID21024369

未命名化合物

结构：CC1=CCC(C)(C)c2cc(N(C)c3ccc(C(=O)O)cc3)ccc21

HCID22218212

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(Nc2ccc3c(c2)C(C)(C)CC=C3C)cc1

HCID21024367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a5714b85c5f4b61b60bc886af22e8de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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