HRID701174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

HCID24062

Acetic acid, chloro-, 2-phenylethyl ester

C10H11ClO2

HCID51392

未命名化合物

HCID518964

Acetic acid, chloro-, ion(1-)

C2H2ClO2-

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCc1ccccc1

HCID12084277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d3b027cc84c4b77a8d66055bdbfeb7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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