HRID296679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID79889

m-Hydroxybenzohydrazide

C7H8N2O2

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)c2cccc(O)c2)C(C)O)ccc(C#N)c1Cl

HCID178430583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a60e24febb9408ab3553e35cdcd0a9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:1][c:2]1[c:3]([CH3:27])[c:4]([NH:10][CH:11]([C:12](=[O:13])[NH:14][NH:15][C:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:23])[CH:24]([CH3:25])[OH:26])[cH:5][cH:6][c:7]1[C:8]#[N:9].[Cl:28][c:29]1[c:30]([CH3:31])[c:32]([NH:33][CH:34]([CH:35]([OH:36])[CH3:37])[C:38]([OH:39])=[O:40])[cH:41][cH:42][c:43]1[C:44]#[N:45].[OH:46][c:47]1[cH:48][c:49]([C:53]([NH:54][NH2:55])=[O:56])[cH:50][cH:51][cH:52]1>>[Cl:1][c:2]1[c:3]([CH3:27])[c:4]([NH:10][CH:11]([C:12](=[O:13])[NH:14][NH:15][C:16]([c:17]2[cH:18][cH:19][cH:20][c:21]([OH:40])[cH:22]2)=[O:23])[CH:24]([CH3:25])[OH:26])[cH:5][cH:6][c:7]1[C:8]#[N:9]