HRID2161430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID2776379

2-Bromo-1-(3-thienyl)-1-ethanone

C6H5BrOS

结构：CN1CCC(C(=O)OC(c2cccc(F)c2)c2cccc(F)c2)CC1

HCID70925814

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：C[N+]1(CC(=O)c2ccsc2)CCC(C(=O)OC(c2cccc(F)c2)c2cccc(F)c2)CC1

HCID86672951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b7ec5124e754ef09fc4887a6dec763e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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