HRID180819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID180

Acetone

C3H6O

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

3 次

HCID962

Water

H2O

HCID5153393

未命名化合物

HCID178476401

未命名化合物

PRODUCTS

产物

HCID178476413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d7f51b096dec44a79be446380fefee47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]([C:7]1=[CH:8][CH2:9][CH:10]2[CH:11]3[CH2:12][CH2:13][C:14]4=[CH:15][C:16](=[O:27])[CH2:17][CH2:18][C:19]4([CH3:20])[C:21]3([OH:26])[CH2:22][CH2:23][C:24]12[CH3:25])=[N:28][OH:29].[CH3:31][C:32]([O-:33])=[O:34].[CH3:35][C:36](=[O:37])[OH:38].[CH3:39][C:40](=[O:41])[CH3:42].[Cl-:43].[Cl-:44].[Cl-:45].[NH4+:30].[OH2:47].[Ti+3:46]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]([C:7]1=[CH:8][CH2:9][CH:10]2[CH:11]3[CH2:12][CH2:13][C:14]4=[CH:15][C:16](=[O:27])[CH2:17][CH2:18][C:19]4([CH3:20])[C:21]3([OH:26])[CH2:22][CH2:23][C:24]12[CH3:25])=[O:33]