HRID319186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID324007

未命名化合物

HCID2735444

4-(1H-benzimidazol-1-ylmethyl)benzoic acid

C15H12N2O2

PRODUCTS

生成物

结构：COC(=O)C(NC(=O)c1ccc(Cn2cnc3ccccc32)cc1)C(C)O

HCID57550223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-873de036f9ce4b74bfd51e1c4e9e5449
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

[CH2:20]([Cl:21])[CH2:22][Cl:23].[CH3:44][O:45][C:46]([CH:47]([NH2:48])[CH:49]([OH:50])[CH3:51])=[O:52].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:43].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1.[n:1]1([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:17])[NH:48][CH:47]([C:46]([O:45][CH3:44])=[O:52])[CH:49]([OH:50])[CH3:51])[cH:18][cH:19]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2