HRID90923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3421109

2-Chloro-N-(5-chloro-2-pyridinyl)-3-pyridinecarboxamide

C11H7Cl2N3O

HCID18525905

1-[4-(4-Methyl-1,4-diazepan-1-yl)phenyl]methanamine

C13H21N3

PRODUCTS

生成物

结构：CN1CCCN(c2ccc(CNc3ncccc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1

HCID21075305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fa07386f419411cbd438f75d2df03b7
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

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