HRID680894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID326

4-Isopropylbenzaldehyde

C10H12O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID24813

Phosphoric trichloride

Cl3OP

HCID458185

4-Hydroxy-2-methylbenzaldehyde

C8H8O2

HCID21974255

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2nc(-c3ccc(C(C)C)cc3)oc2C)ccc1C=O

HCID18003600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f03c0264aa7b4e1bbf2aa2dc92e5bc20
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

[C:44](=[O:45])([O-:46])[O-:47].[CH:28]([c:29]1[cH:30][cH:31][c:32]([CH:33]=[O:34])[cH:35][cH:36]1)([CH3:37])[CH3:38].[Cl:11][CH2:12][c:13]1[n:14][c:15](-[c:19]2[cH:20][cH:21][c:22]([CH:25]([CH3:26])[CH3:27])[cH:23][cH:24]2)[o:16][c:17]1[CH3:18].[K+:48].[K+:49].[OH:1][c:2]1[cH:3][c:4]([CH3:10])[c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[P:39]([Cl:40])([Cl:41])([Cl:42])=[O:43]>>[O:1]([c:2]1[cH:3][c:4]([CH3:10])[c:5]([CH:6]=[O:7])[cH:8][cH:9]1)[CH2:12][c:13]1[n:14][c:15](-[c:19]2[cH:20][cH:21][c:22]([CH:25]([CH3:26])[CH3:27])[cH:23][cH:24]2)[o:16][c:17]1[CH3:18]