HRID173867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID326

4-Isopropylbenzaldehyde

C10H12O

HCID813

Potassium cation

K+

HCID19660

Carbonate

CO3-2

HCID24813

Phosphoric trichloride

Cl3OP

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID21974255

未命名化合物

HCID69309092

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OCc2nc(-c3ccc(C(C)C)cc3)oc2C)cc1OC)C(=O)OC

HCID69282192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46d4201b727f414499acc55d66ab58a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:52](=[O:53])([O-:54])[O-:55].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[c:7]([O:13][CH3:14])[cH:8][c:9]([OH:12])[cH:10][cH:11]1)[O:15][CH2:16][CH3:17])=[O:18].[CH:36]([c:37]1[cH:38][cH:39][c:40]([CH:41]=[O:42])[cH:43][cH:44]1)([CH3:45])[CH3:46].[Cl:19][CH2:20][c:21]1[n:22][c:23](-[c:27]2[cH:28][cH:29][c:30]([CH:33]([CH3:34])[CH3:35])[cH:31][cH:32]2)[o:24][c:25]1[CH3:26].[Cs+:56].[Cs+:57].[I-:59].[K+:58].[P:47]([Cl:48])([Cl:49])([Cl:50])=[O:51]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[c:7]([O:13][CH3:14])[cH:8][c:9]([O:12][CH2:20][c:21]2[n:22][c:23](-[c:27]3[cH:28][cH:29][c:30]([CH:33]([CH3:34])[CH3:35])[cH:31][cH:32]3)[o:24][c:25]2[CH3:26])[cH:10][cH:11]1)[O:15][CH2:16][CH3:17])=[O:18]