HRID189685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID79848

m-Anisohydrazide

C8H10N2O2

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：COc1cccc(C(=O)NNC(=O)C(Nc2ccc(C#N)c(Cl)c2C)C(C)O)c1

HCID77165951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0781741a121471489fae0d0940dbde4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:46][O:47][c:48]1[cH:49][c:50]([C:54]([NH:55][NH2:56])=[O:57])[cH:51][cH:52][cH:53]1.[CH3:58][OH:59].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[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:39]([OH:38])=[O:40])[cH:41][cH:42][c:43]1[C:44]#[N:45]>>[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]([O:40][CH3:39])[cH:22]2)=[O:23])[CH:24]([CH3:25])[OH:26])[cH:5][cH:6][c:7]1[C:8]#[N:9]