HRID113902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID243097

1-Anilinocyclopentane-1-carboxylic acid

C12H15NO2

HCID521913

2-Propanamine, N,N-diethyl-

C7H17N

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NNC(=O)C1(Nc2ccccc2)CCCC1

HCID68468108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-533f015afdf94c6a8eab7c2d8da749f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])[CH3:44].[ClH:1].[NH:28]([NH2:29])[C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36].[NH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C:9]1([C:14](=[O:15])[OH:16])[CH2:10][CH2:11][CH2:12][CH2:13]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:17].[n:18]1([OH:19])[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[NH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C:9]1([C:14](=[O:16])[NH:29][NH:28][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:10][CH2:11][CH2:12][CH2:13]1