HRID296585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7666

Phenethyl bromide

C8H9Br

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID23160679

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(COCCc1ccccc1)Nc1ccc(C(F)(F)F)cc1

HCID178447048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d93d9a9532b74aaca27e15cef58872ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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