HRID142324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13139

Diethyl phosphorochloridate

C4H10ClO3P

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID85527

3-[3-(Trifluoromethyl)phenyl]acrylic acid

C10H7F3O2

HCID870794

未命名化合物

PRODUCTS

生成物

结构：CC1CCC(N(CCN(C)C)C(=O)C=Cc2cccc(C(F)(F)F)c2)CC1

HCID54242967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccaac70143b949a7a55c19f08467ab1d
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

[CH2:54]([Cl:55])[Cl:56].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][N:33]([CH2:34][CH2:35][NH:36][CH:37]1[CH2:38][CH2:39][CH:40]([CH3:43])[CH2:41][CH2:42]1)[CH3:44].[CH3:45][N:46]([CH3:47])[c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:9])[OH:10])[cH:11][cH:12][cH:13]1)([F:14])[F:15].[P:16]([Cl:17])([O:18][CH2:19][CH3:20])([O:21][CH2:22][CH3:23])=[O:24]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:10])[N:36]([CH2:35][CH2:34][N:33]([CH3:32])[CH3:44])[CH:37]2[CH2:38][CH2:39][CH:40]([CH3:43])[CH2:41][CH2:42]2)[cH:11][cH:12][cH:13]1)([F:14])[F:15]