HRID1147506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1742

4-Hydroxybenzoic acid hydrazide

C7H8N2O2

HCID6344

Dichloromethane

CH2Cl2

HCID66980943

未命名化合物

结构：Cc1c(NC(C(=O)NNC(=O)c2ccccc2)C(C)O)ccc(C#N)c1Cl

HCID178430579

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(C(=O)NNC(=O)c2ccc(O)cc2)C(C)O)ccc(C#N)c1Cl

HCID178430588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecaf0a9835184fa78d8dcf1a84c5e1d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:57]([Cl:58])[Cl:59].[Cl:1][c:2]1[c:3]([CH3:18])[c:4]([NH:10][CH:11]([C:12](=[O:13])[OH:14])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9].[Cl:30][c:31]1[c:32]([CH3:33])[c:34]([NH:35][CH:36]([CH:37]([OH:38])[CH3:39])[C:40]([NH:41][NH:42][C:43](=[O:44])[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)=[O:51])[cH:52][cH:53][c:54]1[C:55]#[N:56].[OH:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:26][NH2:27])[cH:28][cH:29]1>>[Cl:1][c:2]1[c:3]([CH3:18])[c:4]([NH:10][CH:11]([C:12](=[O:14])[NH:27][NH:26][C:24]([c:23]2[cH:22][cH:21][c:20]([OH:19])[cH:29][cH:28]2)=[O:25])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9]