HRID86455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID2757925

2-Chloro-1-(thiophen-2-yl)ethan-1-one

C6H5ClOS

结构：O=C(NC1CN2CCC1CC2)OC(c1cccc(F)c1)c1cccc(F)c1

HCID70925809

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：O=C(NC1C[N+]2(CC(=O)c3cccs3)CCC1CC2)OC(c1cccc(F)c1)c1cccc(F)c1

HCID89106448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3228fcf943924629b95cf1cd4fa22727
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

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