HRID1225702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

12 次

HCID1061

Phosphate

O4P-3

HCID7237

o-Xylene

C8H10

HCID69828

Cyclopropanamine

C3H7N

HCID10423868

2-Chloro-N-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide

C12H9Cl2N3O

PRODUCTS

生成物

HCID9972204

N-(2-Chloro-4-methylpyridin-3-yl)-2-(cyclopropylamino)pyridine-3-carboxamide

C15H15ClN4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93046f448f004e8299543c0c5fe40442
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:43][c:44]1[c:45]([CH3:46])[cH:47][cH:48][cH:49][cH:50]1.[CH:39]1([NH2:42])[CH2:40][CH2:41]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[NH:10][c:11]1[c:12]([Cl:18])[n:13][cH:14][cH:15][c:16]1[CH3:17].[Na+:36].[Na+:37].[Na+:38].[OH2:19].[OH2:20].[OH2:21].[OH2:22].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:30].[P:31]([O-:32])([O-:33])([O-:34])=[O:35]>>[c:2]1([NH:42][CH:39]2[CH2:40][CH2:41]2)[n:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[NH:10][c:11]1[c:12]([Cl:18])[n:13][cH:14][cH:15][c:16]1[CH3:17]