HRID1566268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID278389

5-hydroxypicolinaldehyde

C6H5NO2

HCID2737332

3-Hydroxypyridine-2-carboxaldehyde

C6H5NO2

HCID12421986

3-Hydroxy-6-methylpyridine-2-carbaldehyde

C7H7NO2

结构：CN(C)C(=O)c1cc(O)c(C=NNC(N)=O)[n+](C)c1

HCID136088708

未命名化合物

结构：Cc1cc(O)c(C(=O)N(C)C)c(C=NNC(N)=O)[n+]1C

HCID178429095

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：CN(C)C(=O)c1c(O)cc[n+](C)c1C=NNC(N)=O

HCID178484494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d70e847a9b8a404f935fc0df9ca63fe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH:61]([c:62]1[cH:63][cH:64][c:65]([OH:66])[cH:67][n:68]1)=[O:69].[Cl-:1].[Cl-:41].[NH2:2][C:3](=[O:4])[NH:5][N:6]=[CH:7][c:8]1[n+:9]([CH3:21])[c:10]([CH3:20])[cH:11][c:12]([OH:19])[c:13]1[C:14]([N:15]([CH3:16])[CH3:17])=[O:18].[NH2:42][C:43]([NH:44][N:45]=[CH:46][c:47]1[c:48]([OH:49])[cH:50][c:51]([C:52](=[O:53])[N:54]([CH3:55])[CH3:56])[cH:57][n+:58]1[CH3:59])=[O:60].[OH:22][c:23]1[c:24]([CH:25]=[O:26])[n:27][cH:28][cH:29][cH:30]1.[OH:31][c:32]1[c:33]([CH:34]=[O:35])[n:36][c:37]([CH3:38])[cH:39][cH:40]1>>[Cl-:1].[NH2:2][C:3](=[O:4])[NH:5][N:6]=[CH:7][c:8]1[n+:9]([CH3:21])[cH:10][cH:11][c:12]([OH:19])[c:13]1[C:14]([N:15]([CH3:16])[CH3:17])=[O:18]