HRID164302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

HCID28123

Tetrahydroborate

H4B-

结构：CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CC1OC12

HCID178475283

未命名化合物

HCID178528034

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(O)C=CC12

HCID21444339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e0d8c3ece014f8db7724890eb30a918
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BH4-:15].[C:17]([CH3:18])(=[O:19])[O:20][c:21]1[cH:22][c:23]2[c:36]([cH:37][cH:38]1)[CH:35]1[CH:26]([CH2:25][CH2:24]2)[CH:27]2[CH2:28][CH:29]3[CH:30]([C:31]2([CH3:32])[CH2:33][CH2:34]1)[O:39]3.[CH3:42][C:43]([O:44][C:45](=[O:46])[CH3:47])=[O:48].[CH3:56][CH2:57][OH:58].[Na+:16].[OH2:49].[OH:40][OH:41].[c:1]1([SeH-:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)=[Se:9])[cH:10][cH:11][cH:12][cH:13][cH:14]1.[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[C:17]([CH3:18])(=[O:19])[O:20][c:21]1[cH:22][c:23]2[c:36]([cH:37][cH:38]1)[CH:35]1[CH:26]([CH2:25][CH2:24]2)[CH:27]2[CH:28]=[CH:29][CH:30]([OH:39])[C:31]2([CH3:32])[CH2:33][CH2:34]1