HRID1564762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID810331

未命名化合物

HCID1714225

2-Chloro-4-(4-methylpiperazin-1-yl)pyrimidine

C9H13ClN4

PRODUCTS

生成物

结构：CN1CCN(c2ccnc(Nc3ccc4nc(NC(=O)c5ccccc5)sc4c3)n2)CC1

HCID23132480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db8f6ce1a1674886b46b3fcbb9e51fb0
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

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