HRID142213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID4190636

[2-(Diethylcarbamoyl)phenyl]boronic acid

C11H16BNO3

HCID15169000

2-Chloro-5-methoxypyridine

C6H6ClNO

PRODUCTS

生成物

HCID59492787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ff5589d7f64dfda06df41e2997ffa0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:18]([CH3:19])[N:20]([C:21](=[O:22])[c:23]1[c:24]([B:29]([OH:30])[OH:31])[cH:25][cH:26][cH:27][cH:28]1)[CH2:32][CH3:33].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:9][c:10]1[n:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1.[K+:6].[K+:7].[K+:8].[OH2:53].[OH:34][C:35]([CH2:36][C:37]([C:38](=[O:39])[OH:40])([CH2:41][C:42](=[O:43])[OH:44])[OH:45])=[O:46].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[c:10]1(-[c:24]2[c:23]([C:21]([N:20]([CH2:18][CH3:19])[CH2:32][CH3:33])=[O:22])[cH:28][cH:27][cH:26][cH:25]2)[n:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1