HRID1147176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6661

1,3-Dimethyl-2-imidazolidinone

C5H10N2O

结构：Cc1ccc(C(=O)Nc2ccc(-n3ccnc3C)c(C(F)(F)F)c2)cc1N

HCID59822452

未命名化合物

HCID59822455

6-(2-Chloro-1H-benzimidazol-1-yl)pyrimidin-4-amine

C11H8ClN5

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(-n3ccnc3C)c(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

HCID11990819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9342150281d44c14a80995ed80015831
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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