HRID115688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID409910

4-Methoxycyclohexanamine

C7H15NO

HCID57550751

未命名化合物

PRODUCTS

生成物

HCID86293006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61a1be78bde342dea23663aaf2ab4d7b
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:1][c:2]1[c:3]([NH:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:4][cH:5][c:6]([Br:8])[n:7]1.[CH3:17][O:18][CH:19]1[CH2:20][CH2:21][CH:22]([NH2:25])[CH2:23][CH2:24]1.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl-:36].[ClH:16].[Na+:35]>>[c:2]1([NH:25][CH:22]2[CH2:21][CH2:20][CH:19]([O:18][CH3:17])[CH2:24][CH2:23]2)[c:3]([NH:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:4][cH:5][c:6]([Br:8])[n:7]1