HRID2150705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID12430676

2-Bromo-1-(2-methylphenyl)ethan-1-one

C9H9BrO

结构：CC(C)=CCN1CC(NC(=O)OC(C)(C)C)C(=O)Nc2cc(C)ccc21

HCID21201744

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CCN1CC(NC(=O)OC(C)(C)C)C(=O)N(CC(=O)c2ccccc2C)c2cc(C)ccc21

HCID21201667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03b60d35a096491dbd119cdb412dc419
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-:48].[Br:27][CH2:28][C:29](=[O:30])[c:31]1[c:32]([CH3:37])[cH:33][cH:34][cH:35][cH:36]1.[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[ClH:40].[Na+:39].[O:1]=[C:2]1[CH:3]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:4][N:5]([CH2:14][CH:15]=[C:16]([CH3:17])[CH3:18])[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[NH:8]1.[OH-:38]>>[O:1]=[C:2]1[CH:3]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:4][N:5]([CH2:14][CH:15]=[C:16]([CH3:17])[CH3:18])[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[N:8]1[CH2:28][C:29](=[O:30])[c:31]1[c:32]([CH3:37])[cH:33][cH:34][cH:35][cH:36]1