HRID192948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23145839

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

C15H14N6

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1

HCID23145899

未命名化合物

PRODUCTS

生成物

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

HCID10055016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34ede12ba781404eabc29999fe2341cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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