HRID1130952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID7236

2-Bromotoluene

C7H7Br

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID18546503

未命名化合物

HCID178418306

未命名化合物

HCID178506678

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc(N2CCN(C)CC2)cc1-c1ccccc1C

HCID54469987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9ed384c3f80474c9388e89a7dd31fbe
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:40][c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH3:47].[C:35]([Li:36])([CH3:37])([CH3:38])[CH3:39].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:19][N:20]([CH3:21])[CH2:22][CH2:23][N:24]([CH3:25])[CH3:26].[CH3:53][CH2:54][CH2:55][CH2:56][CH3:57].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH3:7])[cH:8][cH:9][c:10]([N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:11]1.[c:27]1([CH3:34])[c:28]([Li:33])[cH:29][cH:30][cH:31][cH:32]1>>[c:2]1(-[c:28]2[c:27]([CH3:34])[cH:32][cH:31][cH:30][cH:29]2)[c:3]([C:4](=[O:5])[NH:6][CH3:7])[cH:8][cH:9][c:10]([N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:11]1