HRID699204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID1273304

1,3-Dimethyl-1H-pyrazole-4-carboxylic acid

C6H8N2O2

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57386059

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)cc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57505533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc66751134b640f0acb54e825da3a1b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][n:2]1[n:3][c:4]([CH3:10])[c:5]([C:7](=[O:8])[OH:9])[cH:6]1.[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:11][C:12]([C:13]([Cl:14])=[O:15])=[O:16].[Cl:42][CH2:43][Cl:44].[NH2:17][c:18]1[cH:19][c:20]([O:21][c:22]2[cH:23][cH:24][c:25]3[n:26]([n:27]2)[cH:28][c:29]([NH:31][C:32](=[O:33])[CH:34]2[CH2:35][CH2:36]2)[n:30]3)[cH:37][cH:38][cH:39]1.[Na+:41].[OH-:40]>>[CH3:1][n:2]1[n:3][c:4]([CH3:10])[c:5]([C:7](=[O:8])[NH:17][c:18]2[cH:19][c:20]([O:21][c:22]3[cH:23][cH:24][c:25]4[n:26]([n:27]3)[cH:28][c:29]([NH:31][C:32](=[O:33])[CH:34]3[CH2:35][CH2:36]3)[n:30]4)[cH:37][cH:38][cH:39]2)[cH:6]1