HRID169952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

反应SMILES：Cc1c(Br)c2cnnc(OCc3ccccc3)c2n1Cc1ccccc1

HCID19437764

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：Cc1c(C=O)c2cnnc(OCc3ccccc3)c2n1Cc1ccccc1

HCID19437754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-05fb2561c6964a62a998f458040398aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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