HRID683353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1118

Sulfuric acid

H2O4S

HCID2214

Acetovanillone

C9H10O3

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

HCID16115909

2-Methoxy-5-(thiophen-2-yl)benzaldehyde

C12H10O2S

PRODUCTS

生成物

结构：COc1cc(C(=O)C=Cc2cc(-c3cccs3)ccc2OC)ccc1O

HCID69494151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-018bb2aba88440e591fc29ade4105172
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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