HRID2328891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID180

Acetone

C3H6O

2 次

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID36209

N,N-dibutyl-N-methylbutan-1-aminium

C13H30N+

结构：CC1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)C1(O)C(=O)CCl

HCID178421742

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC21C

HCID3744482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6075cc4689744332987acfe72b20c1e8
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

[CH2:38]([N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH3:48])[CH2:49][CH2:50][CH3:51].[CH2:52]([Cl:53])[Cl:54].[CH2:60]([Cl:61])[Cl:62].[CH3:28][C:29]([O-:30])=[O:31].[CH3:32][C:33](=[O:34])[OH:35].[CH3:55][C:56](=[O:57])[CH3:58].[CH3:63][C:64]([CH3:65])=[O:66].[Cl-:37].[Cl:1][CH2:2][C:3]([C:4]1([OH:25])[CH:5]([CH3:24])[CH2:6][CH:7]2[CH:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:23])[CH:14]=[CH:15][C:16]4([CH3:17])[C:18]3=[CH:19][CH2:20][C:21]12[CH3:22])=[O:26].[ClH:59].[K+:27].[OH2:36]>>[CH2:2]([C:3]([C:4]1([OH:25])[CH:5]([CH3:24])[CH2:6][CH:7]2[CH:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:23])[CH:14]=[CH:15][C:16]4([CH3:17])[C:18]3=[CH:19][CH2:20][C:21]12[CH3:22])=[O:26])[O:31][C:29]([CH3:28])=[O:30]