HRID165550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6329

Methylamine

CH5N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID76080

2-Aminobenzophenone

C13H11NO

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CNc1ccccc1C(=O)c1ccccc1

HCID10979850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3094772c35c84301bbe0a1f99678a703
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:24][CH2:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[C:18](=[O:19])([O-:20])[O-:21].[CH3:33][NH2:34].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[ClH:35].[I-:17].[K+:16].[K+:22].[K+:23].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13][cH:14][cH:15]1.[Na+:36].[OH:37][C:38](=[O:39])[O-:40]>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][cH:13][cH:14][cH:15]1)[CH2:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32]