HRID1234743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID354316

5-Aminonicotinic acid

C6H6N2O2

HCID74432998

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncc(N)c2)c1

HCID72257276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1f143cd14094cb7a70ec3614b285931
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

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