HRID143795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID573176

1-Methyl-1H-pyrazole-3-carboxylic acid

C5H6N2O2

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

HCID57505446

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2F)n1

HCID57505599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7cce8d5adf14aa49c871b8ac40a2fc3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:10][N:11]([CH3:12])[CH:13]=[O:14].[CH3:1][n:2]1[n:3][c:4]([C:7](=[O:8])[OH:9])[cH:5][cH:6]1.[CH3:55][N:56]([CH3:57])[C:58](=[O:59])[CH3:60].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[NH2:21][c:22]1[cH:23][c:24]([O:25][c:26]2[cH:27][cH:28][c:29]3[n:30]([n:31]2)[cH:32][c:33]([NH:35][C:36](=[O:37])[CH:38]2[CH2:39][CH2:40]2)[n:34]3)[cH:41][cH:42][c:43]1[F:44].[Na+:45].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH:46][C:47](=[O:48])[O-:49]>>[CH3:1][n:2]1[n:3][c:4]([C:7](=[O:9])[NH:21][c:22]2[cH:23][c:24]([O:25][c:26]3[cH:27][cH:28][c:29]4[n:30]([n:31]3)[cH:32][c:33]([NH:35][C:36](=[O:37])[CH:38]3[CH2:39][CH2:40]3)[n:34]4)[cH:41][cH:42][c:43]2[F:44])[cH:5][cH:6]1