HRID153824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID533817

ETHYL 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE

C8H8Cl2N2O2S

HCID59506403

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCN(Cc1ccc(OC)cc1)c1nc(SC)nc(Cl)c1C(=O)OCC

HCID59506504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1ab8f5fc4934c2ab99d7385e8f1e50d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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