HRID2144168

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

HCID387179

2-Bromo-5-hydroxy-benzaldehyde

C7H5BrO2

HCID67107109

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccc2cc[nH]c2c1)CC(=O)C=Cc1cc(O)ccc1Br

HCID67106539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0e95ddb01b64ef2b57f21984158c16d
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

[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].[Br:18][c:19]1[c:20]([CH:21]=[O:22])[cH:23][c:24]([OH:27])[cH:25][cH:26]1.[CH2:44]([NH2:45])[CH2:46][CH2:47][CH3:48].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[ClH:49].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][c:7]([CH:10]=[CH:11][C:12]([CH2:13][C:14]([CH3:15])=[O:16])=[O:17])[cH:8][c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][c:7]([CH:10]=[CH:11][C:12]([CH2:13][C:14]([CH:15]=[CH:21][c:20]3[c:19]([Br:18])[cH:26][cH:25][c:24]([OH:27])[cH:23]3)=[O:16])=[O:17])[cH:8][c:9]12