HRID122136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID241

Benzene

C6H6

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID7428

Benzoic acid, 3,4,5-trihydroxy-, methyl ester

C8H8O5

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID31214

Ethyl orthoformate

C7H16O3

PRODUCTS

生成物

HCID3525469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69258c46088242b892fbcab4e0c32fec
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

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