HRID1211696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4713643

1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid

C13H14FNO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1

HCID66618470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ea5a578190e4d688ee7717c1a7017f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:19]([NH:20][NH2:21])(=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[Cl:51][CH2:52][Cl:53].[ClH:49].[ClH:50].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH:10]([C:14](=[O:15])[OH:16])[CH2:11][CH2:12][CH2:13]2)[cH:17][cH:18]1.[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH:10]([C:14](=[O:16])[NH:21][NH:20][C:19](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:11][CH2:12][CH2:13]2)[cH:17][cH:18]1