HRID2338742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID11030183

4,5,6,7-Tetrahydro-1H-benzimidazole-6-carboxylic acid

C8H10N2O2

HCID21222286

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CCc2nc[nH]c2C1)N1CC(c2cccc(O)c2)c2ccccc21

HCID9928779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c83ca223fa62424db9cfe826500ee694
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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