HRID99572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31275

1,4-Dioxane

C4H8O2

HCID78572

1H-Benzimidazole, 2-chloro-

C7H5ClN2

HCID57758198

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn2ncnc(N)c2c1-c1ccc(Nc2nc3ccccc3[nH]2)cc1

HCID16223286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bce08c73d544fd788b6ca786d0799ca
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

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