HRID310851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

HCID10053560

未命名化合物

HCID23145839

4-Methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]aniline

C15H14N6

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1

HCID9807952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38cfa123819642e69852cea47ccb74a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[c:10]([C:38]([F:39])([F:40])[F:41])[cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][cH:18][c:19]([CH3:20])[c:21]([NH:22][c:23]4[n:24][c:25](-[c:26]5[cH:27][n:28][cH:29][cH:30][cH:31]5)[cH:32][cH:33][n:34]4)[cH:35]3)[cH:36][cH:37]2)[CH2:6][CH2:7]1.[CH3:42][c:43]1[c:44]([NH:50][c:51]2[n:52][cH:53][cH:54][c:55](-[c:57]3[cH:58][n:59][cH:60][n:61][cH:62]3)[n:56]2)[cH:45][c:46]([NH2:47])[cH:48][cH:49]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[c:10]([C:38]([F:39])([F:40])[F:41])[cH:11][c:12]([C:13](=[O:14])[NH:47][c:46]3[cH:45][c:44]([NH:50][c:51]4[n:52][cH:53][cH:54][c:55](-[c:57]5[cH:58][n:59][cH:60][n:61][cH:62]5)[n:56]4)[c:43]([CH3:42])[cH:49][cH:48]3)[cH:36][cH:37]2)[CH2:6][CH2:7]1