HRID175246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID8028

Tetrahydrofuran

C4H8O

HCID66995

Propane, 1,1,1-triethoxy-

C9H20O3

结构：CC1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)C1(O)C(=O)CO

HCID496847

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC21C

HCID178460418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4ac9ee843e34ab181302e9197fbb647
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:44](=[O:45])([OH:46])[O-:47].[CH2:27]([O:29][C:30]([O:28][CH2:33][CH3:34])([CH2:31][CH3:32])[O:35][CH2:36][CH3:37])[CH3:38].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[K+:48].[OH2:54].[OH:1][C:2]1([C:3]([CH2:4][OH:5])=[O:6])[CH:7]([CH3:26])[CH2:8][CH:9]2[CH:10]3[CH2:11][CH2:12][C:13]4=[CH:14][C:15](=[O:25])[CH:16]=[CH:17][C:18]4([CH3:19])[C:20]3=[CH:21][CH2:22][C:23]12[CH3:24].[S:39](=[O:40])(=[O:41])([OH:42])[OH:43]>>[O:1]([C:2]1([C:3]([CH2:4][OH:5])=[O:6])[CH:7]([CH3:26])[CH2:8][CH:9]2[CH:10]3[CH2:11][CH2:12][C:13]4=[CH:14][C:15](=[O:25])[CH:16]=[CH:17][C:18]4([CH3:19])[C:20]3=[CH:21][CH2:22][C:23]12[CH3:24])[C:30](=[O:29])[CH2:31][CH3:32]