HRID2149920

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

HCID820565

5-Ethyl-2-methyl-2H-pyrazole-3-carboxylic acid

C7H10N2O2

结构：CC1CC1C(=O)Nc1cn2nc(Oc3ccc(F)c(N)c3)ccc2n1

HCID57505466

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5C)cn4n3)ccc2F)n(C)n1

HCID57505610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48b04b095b9d4f94bb08148c25c1f261
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

[CH2:1]([CH3:2])[c:3]1[n:4][n:5]([CH3:11])[c:6]([C:8](=[O:9])[OH:10])[cH:7]1.[CH3:12][N:13]([CH3:14])[CH:15]=[O:16].[CH3:58][N:59]([CH3:60])[C:61](=[O:62])[CH3:63].[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[NH2:23][c:24]1[cH:25][c:26]([O:27][c:28]2[cH:29][cH:30][c:31]3[n:32]([n:33]2)[cH:34][c:35]([NH:37][C:38](=[O:39])[CH:40]2[CH:41]([CH3:43])[CH2:42]2)[n:36]3)[cH:44][cH:45][c:46]1[F:47].[Na+:48].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH:49][C:50](=[O:51])[O-:52]>>[CH2:1]([CH3:2])[c:3]1[n:4][n:5]([CH3:11])[c:6]([C:8](=[O:10])[NH:23][c:24]2[cH:25][c:26]([O:27][c:28]3[cH:29][cH:30][c:31]4[n:32]([n:33]3)[cH:34][c:35]([NH:37][C:38](=[O:39])[CH:40]3[CH:41]([CH3:43])[CH2:42]3)[n:36]4)[cH:44][cH:45][c:46]2[F:47])[cH:7]1