HRID2148107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID89107

4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol

C12H13ClF3NO

HCID1810419

1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

C10H11ClN2O

PRODUCTS

生成物

结构：O=c1[nH]c2ccccc2n1CCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1

HCID20385564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a136192ec79c434e9138baa4ca7e9463
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

[CH3:42][CH:43]([CH3:44])[CH2:45][C:46](=[O:47])[CH3:48].[Cl:15][c:16]1[c:17]([C:29]([F:30])([F:31])[F:32])[cH:18][c:19]([C:22]2([OH:28])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:20][cH:21]1.[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:14])[nH:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[I-:40].[K+:39].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:41]>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:14])[nH:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:25]1[CH2:24][CH2:23][C:22]([c:19]2[cH:18][c:17]([C:29]([F:30])([F:31])[F:32])[c:16]([Cl:15])[cH:21][cH:20]2)([OH:28])[CH2:27][CH2:26]1