HRID2348126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7096

Phenylpiperazine

C10H14N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID405802

5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

C8H6N2O3S

PRODUCTS

生成物

结构：Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2nc[nH]c(=O)c12

HCID4991094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f89ac17636f84940a7a6414d88237e76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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