HRID121072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID2782785

2-Bromo-1-(3-chloro-4-fluorophenyl)ethan-1-one

C8H5BrClFO

结构：O=C(OC1CN2CCC1CC2)C(Nc1ccccc1)c1ccccc1

HCID59401215

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(C[N+]12CCC(CC1)C(OC(=O)C(Nc1ccccc1)c1ccccc1)C2)c1ccc(F)c(Cl)c1

HCID178521168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a302407e2874961be43d462885bb246
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

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