HRID2158031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2736299

1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride

C6H7ClN2O

结构：CN(C)CC(=O)Nc1cn2nc(Oc3cccc(N)c3)ccc2n1

HCID57708553

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)CN(C)C)cn4n3)c2)n(C)n1

HCID24767980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-847d7e6e7e9f46f3aa8458f62638bacb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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