HRID300664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2735089

methyl 1H-1,2,4-triazole-3-carboxylate

C4H5N3O2

HCID39126248

未命名化合物

HCID58337071

未命名化合物

PRODUCTS

产物

HCID67028753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e8d8af065ae344efaa7e66f312049666
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[Cl:25][CH2:26][c:27]1[c:28](-[c:37]2[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]2)[n:29][c:30]2[n:31]1[cH:32][c:33]([CH3:36])[cH:34][cH:35]2.[ClH:24].[n:1]1([CH2:2][c:3]2[n:4]3[cH:5][c:6]([CH3:7])[cH:8][cH:9][c:10]3[n:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([CH3:17])[cH:18][cH:19]2)[cH:20][cH:21][n:22][cH:23]1.[nH:44]1[n:45][cH:46][n:47][c:48]1[C:49](=[O:50])[O:51][CH3:52]>>[CH2:26]([c:27]1[c:28](-[c:37]2[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]2)[n:29][c:30]2[n:31]1[cH:32][c:33]([CH3:36])[cH:34][cH:35]2)[n:45]1[n:44][c:48]([C:49](=[O:50])[O:51][CH3:52])[n:47][cH:46]1