HRID698904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID28123

Tetrahydroborate

H4B-

HCID28486

Lithium ion

Li+

结构：CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(CC(=O)O)c2)c(OCC(C)C)c1

HCID17816564

未命名化合物

PRODUCTS

生成物

HCID57684380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8093de138e7408eac7c86afb5e9cc93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH4-:34].[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][c:6]1[c:7]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([O:20][CH2:21][CH:22]([CH3:23])[CH3:24])[c:14]([CH2:16][C:17](=[O:18])[OH:19])[cH:15]2)[cH:25][cH:26][c:27]([O:29][CH2:30][CH:31]([CH3:32])[CH3:33])[cH:28]1.[CH3:39][OH:40].[CH:42]([Cl:43])([Cl:44])[Cl:45].[Cl-:37].[ClH:38].[Li+:36].[Na+:35].[OH2:41]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][c:6]1[c:7]([CH:8]([OH:9])[c:10]2[cH:11][cH:12][c:13]([O:20][CH2:21][CH:22]([CH3:23])[CH3:24])[c:14]([CH2:16][C:17](=[O:18])[OH:19])[cH:15]2)[cH:25][cH:26][c:27]([O:29][CH2:30][CH:31]([CH3:32])[CH3:33])[cH:28]1