HRID2311474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID70556

Spirodecanone

C13H17N3O

HCID3017358

5-Chloro-1-(3-hydroxypropyl)-1H-benzimidazol-2-ol

C10H11ClN2O2

PRODUCTS

生成物

结构：O=C1NCN(c2ccccc2)C12CCN(CCCn1c(=O)[nH]c3cc(Cl)ccc31)CC2

HCID20385585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31b6d0cdf6f94ba99df3f5f322800a29
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

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