HRID1536422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID521173

5-Bromovaleryl chloride

C5H8BrClO

结构：CN(Cc1ccc(C(F)(F)F)c(F)c1)C1CNCC1c1ccc(Cl)c(Cl)c1

HCID75231672

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(C(F)(F)F)c(F)c1)C1CN(C(=O)CCCCBr)CC1c1ccc(Cl)c(Cl)c1

HCID72253475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6afc408c11f94efd9a465836c4eef0bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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