HRID169577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID70683

Ethyl 2-methylalaninate

C6H13NO2

HCID57422425

未命名化合物

HCID58409573

未命名化合物

PRODUCTS

产物

HCID59524388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d529e475fceb4f26ba33c6c7349821a2
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

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