HRID320696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID1515258

5-Bromo-1-methyl-1H-imidazole

C4H5BrN2

结构：COc1cccc(-c2cc(=O)n(C)c3ncc(C(=O)c4ccc(Cl)cc4)cc23)c1

HCID59334691

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(-c2cc(=O)n(C)c3ncc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1

HCID59334736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-146e9dcd5e6f4a17af3cfbc4bdd2d155
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

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