HRID1570816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID938

Nicotinic acid

C6H5NO2

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID69520583

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)Oc1ccc(CCNC(=O)c2cccnc2)cc1)c1ccccc1

HCID69517683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70a8de88fe434ea38fcab56f453ce3b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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