HRID2317657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

4 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

结构：C=C(Oc1ccccc1)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC21C

HCID178466177

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC21C

HCID536715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6efb10f049b4abebe6269d8db73eafe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:46]([Cl:47])[Cl:48].[CH3:41][C:42]([CH3:43])=[O:44].[K+:36].[K+:37].[K+:38].[K+:40].[OH-:39].[OH2:45].[OH:1][C:2]1([C:3](=[CH2:4])[O:5][c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[CH2:12][CH2:13][CH:14]2[CH:15]3[CH2:16][CH2:17][C:18]4=[CH:19][C:20](=[O:30])[CH2:21][CH2:22][C:23]4([CH3:24])[C:25]3=[CH:26][CH2:27][C:28]12[CH3:29].[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[c:49]1([CH3:50])[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[OH:1][C:2]1([C:3](=[O:4])[CH2:5][O:39][C:42]([CH3:43])=[O:44])[CH2:12][CH2:13][CH:14]2[CH:15]3[CH2:16][CH2:17][C:18]4=[CH:19][C:20](=[O:30])[CH2:21][CH2:22][C:23]4([CH3:24])[C:25]3=[CH:26][CH2:27][C:28]12[CH3:29]