HRID177420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：FC(F)(F)c1ccc(C(c2ccccc2)C2CCCNC2)cc1

HCID68734510

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN1CCCC(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)C1

HCID68733022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bfe4d4eb1dd4ed2b14cf18bc5dfbd04
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

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