HRID1137460

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

HCID416960

Methyl 2-amino-3-hydroxypropanoate

C4H9NO3

HCID2735444

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

C15H12N2O2

PRODUCTS

生成物

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

HCID57550207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d85f3e2d85ce4c95b66b7d2f8d8621ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:20]([Cl:21])[CH2:22][Cl:23].[CH3:44][O:45][C:46]([CH:47]([NH2:48])[CH2:49][OH:50])=[O:51].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:43].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[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:51])[CH2:49][OH:50])[cH:18][cH:19]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2