HRID2141884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID643562

2-Amino-6-fluorophenol

C6H6FNO

HCID136877507

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(F)c1O

HCID136041791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68862800c01d4e11b8f5d8e487ffd298
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[ClH:28].[NH2:19][c:20]1[c:21]([OH:27])[c:22]([F:26])[cH:23][cH:24][cH:25]1.[Na+:18].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9]([CH2:14][C:15](=[O:16])[O-:17])[nH:10][c:11](=[O:13])[cH:12]2)[CH2:5][CH2:6]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9]([CH2:14][C:15](=[O:17])[NH:19][c:20]3[c:21]([OH:27])[c:22]([F:26])[cH:23][cH:24][cH:25]3)[nH:10][c:11](=[O:13])[cH:12]2)[CH2:5][CH2:6]1