HRID2141841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID19660

Carbonate

CO3-2

HCID70556

Spirodecanone

C13H17N3O

HCID20385582

1,3-Dihydro-1-(3-hydroxypropyl)-5-methyl-2H-benzimidazol-2-one

C11H14N2O2

PRODUCTS

生成物

结构：Cc1ccc2c(c1)[nH]c(=O)n2CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1

HCID20385628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89727d186eb44168acf5eba1ec1aaceb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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