HRID284428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8438

Piperonal

C8H6O3

HCID31214

Ethyl orthoformate

C7H16O3

HCID62333

1,4-Diethyl 2,3-dihydroxybutanedioate

C8H14O6

PRODUCTS

生成物

结构：CCOC(=O)C1OC(c2ccc3c(c2)OCO3)OC1C(=O)OCC

HCID18953331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-138a3381731e4c9fa7569d8cf49fdbe6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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