HRID1236668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8007

Butylamine

C4H11N

HCID8857

Ethyl acetate

C4H8O2

HCID12712

Tributyl borate

C12H27BO3

HCID185363

2-Chloro-4-hydroxybenzaldehyde

C7H5ClO2

HCID54318819

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2Cl)ccc1O

HCID67106678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-170bc0e0edfd4977b493107ea3423810
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[B:28]([O:29][CH2:30][CH2:31][CH2:32][CH3:33])([O:34][CH2:35][CH2:36][CH2:37][CH3:38])[O:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH2:44]([NH2:45])[CH2:46][CH2:47][CH3:48].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:18][c:19]1[c:20]([CH:21]=[O:22])[cH:23][cH:24][c:25]([OH:27])[cH:26]1.[ClH:49].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[OH:1][c:2]1[c:3]([O:16][CH3:17])[cH:4][c:5]([CH:8]=[CH:9][C:10]([CH2:11][C:12]([CH3:13])=[O:14])=[O:15])[cH:6][cH:7]1>>[OH:1][c:2]1[c:3]([O:16][CH3:17])[cH:4][c:5]([CH:8]=[CH:9][C:10]([CH2:11][C:12]([CH:13]=[CH:21][c:20]2[c:19]([Cl:18])[cH:26][c:25]([OH:27])[cH:24][cH:23]2)=[O:14])=[O:15])[cH:6][cH:7]1