HRID2147873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID7978

2-Pyrimidinamine

C4H5N3

HCID4457603

未命名化合物

结构：Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)O)c1nnc(C)n1-2

HCID19704921

未命名化合物

PRODUCTS

生成物

结构：Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ncccn1)c1nnc(C)n1-2

HCID19704922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14a9364bdbef47e79d742e321db48f95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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