HRID2137615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID143191

7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-carbaldehyde

C14H15NO3

HCID22924848

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CCN(CC)c1ccc2cc(C=Cc3cccc[n+]3CCCCCC(=O)O)c(=O)oc2c1

HCID90971075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62789723ec7d4ac9ab78bb4d46787bf3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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