HRID1545821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID81531

Diisopropylethylamine

C8H19N

HCID244728

3-Ethoxy-4-methoxybenzaldehyde

C10H12O3

HCID498716

未命名化合物

结构：CCOC(=O)C(C)(C)Oc1cc(OC)cc(C(=O)NC2CCNCC2)c1

HCID68456716

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(OC)cc(C(=O)NC2CCN(Cc3ccc(OC)c(OCC)c3)CC2)c1

HCID68457215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20fc758035d54610802432fd316cc13c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:40]([BH3-:41])#[N:42].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([O:24][CH3:25])[cH:12][c:13]([C:15]([NH:16][CH:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)=[O:23])[cH:14]1)=[O:26].[CH2:27]([CH3:28])[O:29][c:30]1[cH:31][c:32]([CH:33]=[O:34])[cH:35][cH:36][c:37]1[O:38][CH3:39].[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH3:53][CH2:54][OH:55].[CH3:56][C:57](=[O:58])[OH:59].[Na+:43]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([O:24][CH3:25])[cH:12][c:13]([C:15]([NH:16][CH:17]2[CH2:18][CH2:19][N:20]([CH2:33][c:32]3[cH:31][c:30]([O:29][CH2:27][CH3:28])[c:37]([O:38][CH3:39])[cH:36][cH:35]3)[CH2:21][CH2:22]2)=[O:23])[cH:14]1)=[O:26]