HRID114871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID92640

Propanoic acid, 3-mercapto-, 2-ethylhexyl ester

C11H22O2S

HCID11043622

5-benzyloxy-2-chloro-nitrobenzene

C13H10ClNO3

PRODUCTS

生成物

结构：CCCCC(CC)COC(=O)CCSc1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

HCID58047047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c64d9e50ae04ac5b72cca45aa9b3507
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

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