HRID289592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID403

4-Aminophenol

C6H7NO

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

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

HCID19704921

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2

HCID19704956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9cf8fc8f3b184825977f2346c3b5acf7
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

[C:35]([Cl:36])(=[O:37])[C:38]([CH3:39])([CH3:40])[CH3:41].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[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.[NH2:42][c:43]1[cH:44][cH:45][c:46]([OH:47])[cH:48][cH:49]1.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:24][C:25](=[O:27])[NH:42][c:43]3[cH:44][cH:45][c:46]([OH:47])[cH:48][cH:49]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