HRID121302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID4067665

未命名化合物

结构：Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F

HCID57505446

未命名化合物

PRODUCTS

生成物

结构：CONC(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F

HCID57505561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e4f8377efd44723bb9852484572b68f
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](=[O:2])([n:3]1[cH:4][cH:5][n:6][cH:7]1)[n:8]1[cH:9][cH:10][n:11][cH:12]1.[CH3:14][O:15][NH3+:16].[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl-:13].[NH2:24][c:25]1[cH:26][c:27]([O:28][c:29]2[cH:30][cH:31][c:32]3[n:33]([n:34]2)[cH:35][c:36]([NH:38][C:39](=[O:40])[CH:41]2[CH2:42][CH2:43]2)[n:37]3)[cH:44][cH:45][c:46]1[F:47].[Na+:48].[OH:49][C:50](=[O:51])[O-:52]>>[C:1](=[O:2])([NH:16][O:15][CH3:14])[NH:24][c:25]1[cH:26][c:27]([O:28][c:29]2[cH:30][cH:31][c:32]3[n:33]([n:34]2)[cH:35][c:36]([NH:38][C:39](=[O:40])[CH:41]2[CH2:42][CH2:43]2)[n:37]3)[cH:44][cH:45][c:46]1[F:47]