HRID114724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID271

Calcium ion

Ca+2

HCID312

Chloride

Cl-

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8007

Butylamine

C4H11N

HCID8655

Syringaldehyde

C9H10O4

HCID8857

Ethyl acetate

C4H8O2

HCID31077

Tributan-2-yl borate

C12H27BO3

HCID12711594

5-Methylfuran-3-one

C5H6O2

PRODUCTS

生成物

HCID67055688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49244b4441d842cdbc6b81c63fb7bd0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B:24]([O:25][CH:26]([CH2:27][CH3:28])[CH3:29])([O:30][CH:31]([CH2:32][CH3:33])[CH3:34])[O:35][CH:36]([CH2:37][CH3:38])[CH3:39].[CH2:40]([NH2:41])[CH2:42][CH2:43][CH3:44].[CH3:1][C:2]1=[CH:3][C:4](=[O:7])[CH2:5][O:6]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:55][C:56](=[O:57])[OH:58].[CH:11]([c:12]1[cH:13][c:14]([O:15][CH3:16])[c:17]([OH:18])[c:19]([O:20][CH3:21])[cH:22]1)=[O:23].[Ca+2:10].[Cl-:8].[Cl-:9].[Cl:45][CH2:46][Cl:47].[OH2:54]>>[CH3:1][C:2]1=[CH:3][C:4](=[O:7])[C:5](=[CH:11][c:12]2[cH:13][c:14]([O:15][CH3:16])[c:17]([OH:18])[c:19]([O:20][CH3:21])[cH:22]2)[O:6]1