HRID694667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID2795212

2-Bromo-1-(1,3-thiazol-2-yl)ethan-1-one

C5H4BrNOS

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)c2nccs2)CCC(C(=O)OC(c2cccc(F)c2)c2cccc(F)c2)CC1

HCID86672953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a9cbb8a2dae4704923c26a0a7fe6200
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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