HRID676935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID78346

Pyrimidine-5-carboxylic acid

C5H4N2O2

结构：CNc1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

HCID21891691

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1cncnc1)c1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

HCID10098770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82db6c7260c34021bc842248e244b3ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[CH:10]1([CH2:13][n:14]2[c:15](=[O:41])[n:16]([CH2:33][c:34]3[c:35]([F:40])[cH:36][cH:37][cH:38][cH:39]3)[c:17](=[O:32])[c:18]3[nH:19][c:20]([CH2:23][c:24]4[cH:25][cH:26][c:27]([NH:30][CH3:31])[cH:28][cH:29]4)[n:21][c:22]23)[CH2:11][CH2:12]1.[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:8])[OH:9])[cH:6]1>>[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:9])[N:30]([c:27]2[cH:26][cH:25][c:24]([CH2:23][c:20]3[nH:19][c:18]4[c:17](=[O:32])[n:16]([CH2:33][c:34]5[c:35]([F:40])[cH:36][cH:37][cH:38][cH:39]5)[c:15](=[O:41])[n:14]([CH2:13][CH:10]5[CH2:11][CH2:12]5)[c:22]4[n:21]3)[cH:29][cH:28]2)[CH3:31])[cH:6]1