HRID665458

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-

HCID38282

4-(4-Chlorophenyl)-4-piperidinol

C11H14ClNO

HCID20385587

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c2ccc(Cl)cc2n1CCCN1CCC(O)(c2ccc(Cl)cc2)CC1

HCID20385624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62b6fa3e736f4b72a58274b3b8201b7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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