HRID1204056

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

HCID67106734

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(O)cc1Cl

HCID67106595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c21cbe2d3d864fce80d45746a02bc670
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:26]([O:27][CH2:28][CH2:29][CH2:30][CH3:31])([O:32][CH2:33][CH2:34][CH2:35][CH3:36])[O:37][CH2:38][CH2:39][CH2:40][CH3:41].[CH2:42]([NH2:43])[CH2:44][CH2:45][CH3:46].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:16][c:17]1[c:18]([CH:19]=[O:20])[cH:21][cH:22][c:23]([OH:25])[cH:24]1.[ClH:47].[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[OH:1][c:2]1[cH:3][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[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10]([CH2:11][C:12]([CH:13]=[CH:19][c:18]2[c:17]([Cl:16])[cH:24][c:23]([OH:25])[cH:22][cH:21]2)=[O:14])=[O:15])[cH:6][cH:7]1