HRID2341166

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

HCID268757

3-Methylpicolinic acid

C7H7NO2

HCID57749166

未命名化合物

PRODUCTS

生成物

结构：Cc1cccnc1C(=O)Nc1cccc(Oc2ccc(N)nc2)c1

HCID57749261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-748258070b15486588180c8481aa7649
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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