HRID1131321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8471

Triethylamine

C6H15N

结构：CN1CN(C)c2nc3n(Cc4ccccc4)c(=O)cc(O)n3c2C1=O

HCID178481263

未命名化合物

PRODUCTS

生成物

结构：CN1CN(C)c2nc3n(Cc4ccccc4)c(=O)c(Cc4ccccc4)c(O)n3c2C1=O

HCID178481262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b89617d53d07453b8a5a9e271c005fce
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

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