HRID823308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID108

3-Pyridineacetic acid

C7H7NO2

HCID313

Hydrochloric Acid

ClH

反应SMILES：CN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1

HCID11172762

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

C13H17NO4

HCID14000620

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)cc1

HCID54341202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-db841ab411084fa5a082e3ae5876d396
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]([CH3:36])[c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[OH:43])[cH:44][cH:45]1.[ClH:17].[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:18]1[cH:19][cH:20][cH:21][c:22]([CH2:23][C:24]([OH:25])=[O:26])[cH:27]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:41]([c:40]1[cH:39][cH:38][c:37]([N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH3:36])[cH:45][cH:44]1)=[O:42]