HRID1550455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1727

4-Aminopyridine

C5H6N2

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)Nc1ccncc1)c1nnc(C)n1-2

HCID19704993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b3cbcbb089b14c7caafd880d2bcab592
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

[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].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[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][n:46][cH:47][cH:48]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:59]>>[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][n:46][cH:47][cH:48]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