HRID96052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID938

Nicotinic acid

C6H5NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4351123

未命名化合物

PRODUCTS

生成物

HCID19956853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f02e9c456d094ef4a4d840a1cfca37ef
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([NH2:8])[CH3:9])=[O:10].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH:37]1([N:38]=[C:39]=[N:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[Cl:52][CH2:53][Cl:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][cH:24][n:25][cH:26]1.[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([NH:8][C:19](=[O:18])[c:21]1[cH:22][cH:23][cH:24][n:25][cH:26]1)[CH3:9])=[O:10]