HRID186550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID89908

m-Ethoxybenzaldehyde

C9H10O2

结构：CCCCc1c(-c2ccccc2)nnc(Cl)c1CNCc1ccc2c(c1)OCO2

HCID18438149

未命名化合物

PRODUCTS

生成物

结构：CCCCc1c(-c2ccccc2)nnc(Cl)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCO2

HCID18437597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8740c75b625f45e79d9cff713a303abb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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