HRID318108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID15685490

1-Propen-2-ol, 2-propanoate

C6H10O2

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：CCC(=O)OC1=CCC2C3CCc4cc(OC)cc(OC(C)=O)c4C3CCC12C

HCID178460337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-076fd33a5a384f49ba9e40a7c21d6817
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: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]([CH2:27][CH3:28])(=[O:29])[O:30][C:31]([CH3:32])=[CH2:33].[OH2:34].[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([OH:41])(=[O:42])=[O:43])[cH:44][cH:45]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]([CH2:27][CH3:28])=[O:29])[C:17]2([CH3:18])[CH2:19][CH2:20]1