HRID106066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID82604

Nicotinoyl chloride

C6H4ClNO

反应SMILES：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(N)nn2c1

HCID68985382

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)c3cccnc3)nn2c1

HCID57749230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1b74e8079b7e43ccb6fe1be79197048f
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:42](=[O:43])([O-:44])[OH:45].[NH2:1][c:2]1[n:3][n:4]2[c:5]([cH:6][cH:7][c:8]([O:10][c:11]3[cH:12][c:13]([NH:18][C:19]([c:20]4[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]4)=[O:31])[cH:14][cH:15][c:16]3[CH3:17])[cH:9]2)[n:32]1.[Na+:46].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[n:33]1[cH:34][c:35]([C:39](=[O:40])[Cl:41])[cH:36][cH:37][cH:38]1>>[NH:1]([c:2]1[n:3][n:4]2[c:5]([cH:6][cH:7][c:8]([O:10][c:11]3[cH:12][c:13]([NH:18][C:19]([c:20]4[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]4)=[O:31])[cH:14][cH:15][c:16]3[CH3:17])[cH:9]2)[n:32]1)[C:39]([c:35]1[cH:34][n:33][cH:38][cH:37][cH:36]1)=[O:40]