HRID686090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID108

3-Pyridineacetic acid

C7H7NO2

HCID313

Hydrochloric Acid

ClH

HCID14000620

未命名化合物

HCID22349165

3-[(tert-Butoxycarbonyl)(methyl)amino]benzoic acid

C13H17NO4

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)c1

HCID18360495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e0210258d6d4b6e830462820dc87388
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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