HRID317343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID237953

1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione

C12H12N2O2

结构：CC(C)(CCl)CN1CCN(c2ccccc2OCC(F)(F)F)CC1

HCID70201721

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(Cc2ccccc2)c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O

HCID70201499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7806c69723c463ea30f76aaf5b408e0
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

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