HRID1575853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID19660

Carbonate

CO3-2

结构：CC(=O)OCC1OC(Br)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID102932

未命名化合物

HCID124611

Tributylbenzylammonium

C19H34N+

HCID10419531

3,5-Dihydroxy-4-acetyltoluene

C9H10O3

PRODUCTS

生成物

结构：CC(=O)OCC1OC(Oc2cc(C)cc(O)c2C(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dfce37a8e544849bb6f83084c49665f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:19]([CH3:20])(=[O:21])[O:22][CH:23]1[CH:24]([Br:42])[O:25][CH:26]([CH2:37][O:38][C:39]([CH3:40])=[O:41])[CH:27]([O:33][C:34]([CH3:35])=[O:36])[CH:28]1[O:29][C:30]([CH3:31])=[O:32].[C:1](=[O:2])([O-:3])[O-:4].[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH2:66][CH2:67][CH3:68].[CH:44]([Cl:45])([Cl:46])[Cl:47].[Cl-:48].[ClH:43].[K+:5].[K+:6].[OH2:69].[OH:7][c:8]1[c:9]([C:16]([CH3:17])=[O:18])[c:10]([OH:15])[cH:11][c:12]([CH3:14])[cH:13]1>>[O:7]([c:8]1[c:9]([C:16]([CH3:17])=[O:18])[c:10]([OH:15])[cH:11][c:12]([CH3:14])[cH:13]1)[CH:24]1[CH:23]([O:22][C:19]([CH3:20])=[O:21])[CH:28]([O:29][C:30]([CH3:31])=[O:32])[CH:27]([O:33][C:34]([CH3:35])=[O:36])[CH:26]([CH2:37][O:38][C:39]([CH3:40])=[O:41])[O:25]1