HRID212155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7916

Isopropenyl acetate

C5H8O2

结构：COc1cc2c(c(OC(C)=O)c1)C1CCC3(C)C(=O)CCC3C1CC2

HCID178486697

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(c(OC(C)=O)c1)C1CCC3(C)C(OC(C)=O)=CCC3C1CC2

HCID178486701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9565d196d654ed48630f6b32fbe36dc
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][c:5]1[cH:6][c:7]([O:24][CH3:25])[cH:8][c:9]2[c:22]1[CH:21]1[CH:12]([CH2:11][CH2:10]2)[CH:13]2[CH2:14][CH2:15][C:16](=[O:23])[C:17]2([CH3:18])[CH2:19][CH2:20]1.[C:26]([CH3:27])(=[O:28])[O:29][C:30]([CH3:31])=[CH2:32].[OH2:33].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][c:7]([O:24][CH3:25])[cH:8][c:9]2[c:22]1[CH:21]1[CH:12]([CH2:11][CH2:10]2)[CH:13]2[CH2:14][CH:15]=[C:16]([O:23][C:26]([CH3:27])=[O:28])[C:17]2([CH3:18])[CH2:19][CH2:20]1