HRID106544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID82191

1-Piperazinecarboxaldehyde

C5H10N2O

结构：CC(C)(O)c1ccc(C(=O)Nc2cc(Cl)n3nccc3n2)cc1

HCID86652272

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1ccc(C(=O)Nc2cc(N3CCN(C=O)CC3)n3nccc3n2)cc1

HCID86652273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-401beabcdd4749be9c4f6a2468769411
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

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