HRID160262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8094

Heptanoic acid

C7H14O2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID95153

2-(4-nitrophenyl)ethanamine

C8H10N2O2

PRODUCTS

生成物

HCID86586370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77cc6d6aaabd4b6fad7cc1d5aaf35610
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:47]([Cl:48])[Cl:49].[CH3:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19]([OH:20])=[O:21].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[ClH:1].[N+:22](=[O:23])([O-:24])[c:25]1[cH:26][cH:27][c:28]([CH2:29][CH2:30][NH2:31])[cH:32][cH:33]1>>[CH3:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:21])[NH:31][CH2:30][CH2:29][c:28]1[cH:27][cH:26][c:25]([N+:22](=[O:23])[O-:24])[cH:33][cH:32]1