HRID699228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID10459

Hexadecanedioic acid

C16H30O4

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID30165

Iodide ion

I-

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

PRODUCTS

生成物

结构：COc1ccc(COC(=O)CCCCCCCCCCCCCCC(=O)O)cc1

HCID58079476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-155ab6360f4f4bc28472d180b9339070
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][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:17])[OH:18])(=[O:19])[OH:20].[CH3:28][O:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][Cl:35])[cH:36][cH:37]1.[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][C:45]1=[O:46].[CH:21]([NH:22][CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[I-:38].[Na+:39].[OH2:47]>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16]([O:17][CH2:34][c:33]1[cH:32][cH:31][c:30]([O:29][CH3:28])[cH:37][cH:36]1)=[O:18])(=[O:19])[OH:20]