HRID181667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6395

Methanesulfonic acid

CH4O3S

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID38282

4-(4-Chlorophenyl)-4-piperidinol

C11H14ClNO

HCID3017358

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

C10H11ClN2O2

PRODUCTS

生成物

结构：O=c1[nH]c2cc(Cl)ccc2n1CCCN1CCC(O)(c2ccc(Cl)cc2)CC1

HCID20385570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daef20cd5fbb42b6a6767ba07d6bd7b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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