HRID185985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9966

4-(Trifluoromethyl)benzoic acid

C8H5F3O2

HCID24386

Thionyl chloride

Cl2OS

HCID18475741

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(c2cccc3c2CC(NC(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1

HCID18475697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f848c62cd22149b7a30d0d18dbd1200f
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

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