HRID2122886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

HCID161282

Cerium trichloride

CeCl3

HCID316637

methyl 2-heptenoate

C8H14O2

结构：CCCCC(C)(C)C(=O)C=CC1C(O)CC(Cl)C1CC=CCCCC(=O)OC

HCID178443762

未命名化合物

PRODUCTS

生成物

HCID178443763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b788e65cc474e2c845d6157c4debb53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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