HRID172676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCCN(CCCCOCc1ccccc1)C(=O)c1cc(C)cc(C(=O)OCC)c1

HCID21086098

Ethyl 3-{[[4-(benzyloxy)butyl](propyl)amino]carbonyl}-5-methylbenzoate

C25H33NO4

PRODUCTS

生成物

结构：CCCN(CCCCOCc1ccccc1)C(=O)c1cc(C)cc(C(=O)O)c1

HCID21085686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fca4d3efc18e4d1aa305d2d9829753d7
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][CH2:12][N:13]([C:14](=[O:15])[c:16]1[cH:17][c:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][c:25]([CH3:27])[cH:26]1)[CH2:28][CH2:29][CH3:30].[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][CH2:40][OH:41].[ClH:33].[Li+:31].[OH-:32].[OH2:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][CH2:12][N:13]([C:14](=[O:15])[c:16]1[cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:24][c:25]([CH3:27])[cH:26]1)[CH2:28][CH2:29][CH3:30]