HRID124650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID67977

2-Propenoic acid, 3-(2-fluorophenyl)-

C9H7FO2

HCID22605573

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C=Cc1ccccc1F)c1cc(N2CCOCC2)ccc1F

HCID69919502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c245adddb144b71aa0f6b6d0c540195
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:29]([Cl:30])[CH2:31][Cl:32].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][N:42]([c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1)[CH3:49].[Cl:50][CH2:51][Cl:52].[ClH:33].[F:13][c:14]1[c:15]([CH:26]([CH3:27])[NH2:28])[cH:16][c:17]([N:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[cH:18][cH:19]1.[F:1][c:2]1[c:3]([CH:4]=[CH:5][C:6](=[O:7])[OH:8])[cH:9][cH:10][cH:11][cH:12]1>>[F:1][c:2]1[c:3]([CH:4]=[CH:5][C:6](=[O:8])[NH:28][CH:26]([c:15]2[c:14]([F:13])[cH:19][cH:18][c:17]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:16]2)[CH3:27])[cH:9][cH:10][cH:11][cH:12]1