HRID209100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

结构：O=C1CC(c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O

HCID68708

Floxacrine

C20H13ClF3NO3

PRODUCTS

生成物

结构：CN(C)CCCN=C1CC(c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O

HCID10458351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a2010d37bd149379503cc1c4522c21a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:29][N:30]([CH2:31][CH2:32][CH2:33][NH2:34])[CH3:35].[CH3:36][CH2:37][OH:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([OH:28])[c:7]3[c:12]([c:13](=[O:16])[c:14]2[cH:15]1)[C:11](=[O:17])[CH2:10][CH:9]([c:18]1[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]1)[CH2:8]3>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([OH:28])[c:7]3[c:12]([c:13](=[O:16])[c:14]2[cH:15]1)[C:11](=[N:34][CH2:33][CH2:32][CH2:31][N:30]([CH3:29])[CH3:35])[CH2:10][CH:9]([c:18]1[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]1)[CH2:8]3