HRID1222498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

3 次

HCID2548

N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide

C18H27NO3

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID3681305

Hydrogen phosphate

HO4P-2

HCID4170292

Methyl 6-bromohexanoate

C7H13BrO2

PRODUCTS

生成物

结构：COC(=O)CCCCCOc1ccc(CNC(=O)CCCCC=CC(C)C)cc1OC

HCID68785352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2980a7f02c443588fc6795d44d9aedd
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

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